AG01BEMX

790702-57-7 | 5-(dimethylsulfamoyl)-N-(5-methyl-1,3-thiazol-2-yl)-2-(pyrrolidin-1-yl)benzamide

AG01BEMX

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CAS Number	790702-57-7
Catalog Number	AG01BEMX
Chemical Name	5-(dimethylsulfamoyl)-N-(5-methyl-1,3-thiazol-2-yl)-2-(pyrrolidin-1-yl)benzamide
IUPAC Name	5-(dimethylsulfamoyl)-N-(5-methyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-ylbenzamide
InChI	InChI=1S/C17H22N4O3S2/c1-12-11-18-17(25-12)19-16(22)14-10-13(26(23,24)20(2)3)6-7-15(14)21-8-4-5-9-21/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,18,19,22)
InChI Key	QPKGRLIYJGBKJL-UHFFFAOYSA-N
MDL Number	MFCD06358908
Molecular Formula	C17H22N4O3S2
Molecular Weight	394.5116
SMILES	CN(S(=O)(=O)C=1C=CC(=C(C(=O)NC=2SC(=CN2)C)C1)N1CCCC1)C
Synonyms	5-(N,N-dimethylsulfamoyl)-N-(5-methylthiazol-2-yl)-2-(pyrrolidin-1-yl)benzamide, CID2519269, ML414 compound, NGI-1 compound, NGI-1, 790702-57-7, ML414, MLS002248299, SMR001315774, 5-(dimethylsulfamoyl)-N-(5-methyl-1,3-thiazol-2-yl)-2-(pyrrolidin-1-yl)benzamide, 5-(dimethylsulfamoyl)-N-(5-methyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-ylbenzamide, 5-(N,N-Dimethylsulfamoyl)-N-(5-methylthiazol-2-yl)-2-(pyrrolidin-1-yl)benzamide, KSC-367-096-1, AC1M8RVC, KUC113535N-NLG, CHEMBL1720448, SCHEMBL20598184, cid_2519269, ML414; NGI-1, BDBM114446, HMS3081P23, KUC113535N, EX-A2753, ZINC3400706, AKOS017066633, KUC113535N-02, MCULE-5903189375, KSC-432-019-1, HY-117383, AK00792303, CS-0065599, J3.628.467F, BRD-K40795977-001-04-3, BRD-K40795977-001-07-6, Z29324102, 5-(dimethylsulfamoyl)-N-(5-methyl-2-thiazolyl)-2-(1-pyrrolidinyl)benzamide, 5-(dimethylsulfamoyl)-N-(5-methylthiazol-2-yl)-2-pyrrolidino-benzamide, 5-(dimethylsulfamoyl)-N-(5-methyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-yl-benzamide, NGI-1; NGI1; NGI 1; ML414; ML 414; ML-414 inverted exclamation mark cent, QPKGRLIYJGBKJL-UHFFFAOYSA-N, ZINC03400706, CID2519269,

Complexity	602
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	394.113g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	394.508g/mol
Monoisotopic Mass	394.113g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	119A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

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

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