AG00FGWJ

721401-53-2 | 2-ThiophenecarboxaMide, 5-chloro-N-[(2R)-2-hydroxy-3-[[4-(3-oxo-4-Morpholinyl)phenyl]aMino]propyl]-

AG00FGWJ

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CAS Number	721401-53-2
Catalog Number	AG00FGWJ(AGN-PC-0WBNW0)
Chemical Name	2-ThiophenecarboxaMide, 5-chloro-N-[(2R)-2-hydroxy-3-[[4-(3-oxo-4-Morpholinyl)phenyl]aMino]propyl]-
IUPAC Name	5-chloro-N-[(2R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]thiophene-2-carboxamide
InChI	InChI=1S/C18H20ClN3O4S/c19-16-6-5-15(27-16)18(25)21-10-14(23)9-20-12-1-3-13(4-2-12)22-7-8-26-11-17(22)24/h1-6,14,20,23H,7-11H2,(H,21,25)/t14-/m1/s1
InChI Key	OKMRQXXUAFSBCM-CQSZACIVSA-N
MDL Number	MFCD26227280
Molecular Formula	C18H20ClN3O4S
Molecular Weight	409.8871
SMILES	ClC1=CC=C(S1)C(=O)NC[C@@H](CNC1=CC=C(C=C1)N1C(COCC1)=O)O
Synonyms	721401-53-2, OKMRQXXUAFSBCM-CQSZACIVSA-N, SCHEMBL2233431, KS-00000U0Y, AKOS030632906, ZINC113067210, 5-chloro-N-[(2R)-2-hydroxy-3-[[4-(3-oxomorpholin-4-yl)phenyl]amino]propyl]thiophene-2-carboxamide, 5-Chloro-N-((2R)-2-hydroxy-3-{[4-(3-oxo-4-morpholinyl)-phenyl]amino}propyl)-2-thiophenecarboxamide, 5-Chloro-N-((2R)-2-hydroxy-3-{[4-(3-oxo-4-morpholinyl)phenyl]amino}-propyl)-2-thiophenecarboxamide, 5-chloro-N-[(2R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]thiophene-2-carboxamide, 5-Chloro-thiophene-2-carboxylic acid {(R)-2-hydroxy-3-[4-(3-oxo-morpholin-4-yl)-phenylamino]-propyl}-amide, 5-chlorothiophen-2-carboxylic acid-{(R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)phenylamino]propyl}amide, 5-chlorothiophene-2-carboxylic acid {(R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)phenylamino]-propyl}amide, N-{(R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl) phenylamino]propyl}-5-chlorothiophene-2-carboxamide, N-{(R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)-phenylamino]propyl}-5-chlorothiophene-2-carboxamide, N-{(R)-2-Hydroxy-3-[4-(3-oxomorpholin-4-yl)phenylamino]propyl}-5-chloro-thiophene-2-carboxamide, N-{(R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)phenylamino]propyl}-5-chlorothiophene-2-carboxamide, Rivaroxaban Impurity G, CID10001574, (R)-5-Chloro-N-(2-hydroxy-3-((4-(3-oxomorpholino)phenyl)amino)propyl)thiophene-2-carboxamide,

Complexity	519
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	409.086g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	409.885g/mol
Monoisotopic Mass	409.086g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	119A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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