AG0004JA

1014691-61-2 | 2-Thiophenecarboxylic acid, 3-[[[2-methoxy-4-(phenylamino)phenyl]amino]sulfonyl]-, methyl ester

AG0004JA

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CAS Number	1014691-61-2
Catalog Number	AG0004JA(AGN-PC-07RBLU)
Chemical Name	2-Thiophenecarboxylic acid, 3-[[[2-methoxy-4-(phenylamino)phenyl]amino]sulfonyl]-, methyl ester
IUPAC Name	methyl 3-[(4-anilino-2-methoxyphenyl)sulfamoyl]thiophene-2-carboxylate
InChI	InChI=1S/C19H18N2O5S2/c1-25-16-12-14(20-13-6-4-3-5-7-13)8-9-15(16)21-28(23,24)17-10-11-27-18(17)19(22)26-2/h3-12,20-21H,1-2H3
InChI Key	NDFKBGWLUHKMFY-UHFFFAOYSA-N
MDL Number	MFCD12828770
Molecular Formula	C19H18N2O5S2
Molecular Weight	418.4866
SMILES	O=C(C1=C(S(=O)(NC2=CC=C(NC3=CC=CC=C3)C=C2OC)=O)C=CS1)OC
Synonyms	GSK0660, GSK0660, 1014691-61-2, GSK 0660, GSK-0660, CHEMBL592652, methyl 3-(N-(2-methoxy-4-(phenylamino)phenyl)sulfamoyl)thiophene-2-carboxylate, MFCD12828770, 3-[[[2-Methoxy-4-(phenylamino)phenyl]amino]sulfonyl]-2-thiophenecarboxylicacidmethylester, methyl 3-[(4-anilino-2-methoxyphenyl)sulfamoyl]thiophene-2-carboxylate, C19H18N2O5S2, 3-(((2-Methoxy-4-(phenylamino)phenyl)amino]sulfonyl)-2-thiophenecarboxylic acid methyl ester, 2-Thiophenecarboxylic acid, 3-[[[2-methoxy-4-(phenylamino)phenyl]amino]sulfonyl]-, methyl ester, 3-[[[2-METHOXY-4-(PHENYLAMINO)PHENYL]AMINO]SULFONYL]-2-THIOPHENECARBOXYLIC ACID METHYL ESTER, 2-Thiophenecarboxylic acid, 3-(((2-methoxy-4-(phenylamino)phenyl)amino)sulfonyl)-, methyl ester, GTPL3441, SCHEMBL14970321, CHEBI:94813, CTK3J9817, AOB2503, DTXSID10673163, EX-A768, QCR-147, HMS3677N06, BCP07112, BDBM50383373, ZINC43277624, AKOS024457626, GSK 0660 GSK 0660, AM81226, CS-5416, GSK-0660 (GSK0660), KS-00000T44, NCGC00370882-01, AK174339, HY-12377, AB0095025, GSK0660, >=98% (HPLC), RT-017399, B7406, Y0452, A12392, S-7666, J-000397, BRD-K98684188-001-01-1, methyl 3-[(4-anilino-2-methoxy-phenyl)sulfamoyl]thiophene-2-carboxylate, 2-?Thiophenecarboxylic acid, 3-?[[[2-?methoxy-?4-?(phenylamino)?phenyl]?amino]?sulfonyl]?-?, methyl ester, D06VBQ, NDFKBGWLUHKMFY-UHFFFAOYSA-N, C529769, 3-([(2-METHOXY-4-(PHENYLAMINO)PHENYL)AMINO]SULFONYL)-2-THIOPHENECARBOXYLIC ACID METHYL ESTER,

Complexity	618
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	418.066g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	418.482g/mol
Monoisotopic Mass	418.066g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	130A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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