N-[(E)-1-(3-nitrophenyl)-3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]prop-1-en-2-yl]thiophene-2-carboxamide

Formula:C23H17N5O6S3 Mutagenic:none Tumorigenic:low Reproductive Effective:low N-[(E)-1-(3-nitrophenyl)-3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]prop-1-en-2-yl]thiophene-2-carboxamide is not a drug-like molecule.

MolName	N-[(E)-1-(3-nitrophenyl)-3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]prop-1-en-2-yl]thiophene-2-carboxamide
MolecularFormula	C23H17N5O6S3
Smiles	[O-][N+](c1cccc(/C=C(\C(Nc(cc2)ccc2S(Nc2nccs2)(=O)=O)=O)/NC(c2cccs2)=O)c1)=O
InChI	InChI=1S/C23H17N5O6S3/c29-21(25-16-6-8-18(9-7-16)37(33,34)27-23-24-10-12-36-23)19(26-22(30)20-5-2-11-35-20)14-15-3-1-4-17(13-15)28(31)32/h1-14H,(H,24,27)(H,25,29)(H,26,30)
InChIK	YOBQIIHIDZYGNI-UHFFFAOYSA-N
TotalMolweight	555.615
Molweight	555.615
MonoisotopicMass	555.034095
CLogP	3.2932
CLogS	-6.409
H Acceptors	11
H Donors	3
TotalSurfaceArea	390.02
Relative PSA	0.43882
PolarSurfaceArea	227.94
Druglikeness	3.2377
Mutagenic	none
Tumorigenic	low
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.48649
Fragments	1
Non HAtoms	37
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	3
Amides	3
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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