2-[[(E)-3-(5-nitrothiophen-2-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Formula:C16H15N3O4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(E)-3-(5-nitrothiophen-2-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is a drug-like molecule.

MolName	2-[[(E)-3-(5-nitrothiophen-2-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
MolecularFormula	C16H15N3O4S2
Smiles	NC(c1c(NC(/C=C/c2ccc([N+]([O-])=O)s2)=O)sc2c1CCCC2)=O
InChI	InChI=1S/C16H15N3O4S2/c17-15(21)14-10-3-1-2-4-11(10)25-16(14)18-12(20)7-5-9-6-8-13(24-9)19(22)23/h5-8H,1-4H2,(H2,17,21)(H,18,20)
InChIK	AUQLXFYUEMSRFJ-UHFFFAOYSA-N
TotalMolweight	377.444
Molweight	377.444
MonoisotopicMass	377.050397
CLogP	2.5712
CLogS	-5.459
H Acceptors	7
H Donors	2
TotalSurfaceArea	272.09
Relative PSA	0.45555
PolarSurfaceArea	174.49
Druglikeness	-6.9825
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	5
Amides	2
AcidicOxygens	1
StereoCon

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1 - 2-[[(E)-3-(5-nitrothiophen-2-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | 2 - 2-[[(E)-3-(5-nitrothiophen-2-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

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