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

Formula:C18H17N3O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is a drug-like molecule.

MolName	2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
MolecularFormula	C18H17N3O4S
Smiles	NC(c1c(NC(/C=C/c(cc2)ccc2[N+]([O-])=O)=O)sc2c1CCCC2)=O
InChI	InChI=1S/C18H17N3O4S/c19-17(23)16-13-3-1-2-4-14(13)26-18(16)20-15(22)10-7-11-5-8-12(9-6-11)21(24)25/h5-10H,1-4H2,(H2,19,23)(H,20,22)
InChIK	LNRQKWRBUFOUKD-UHFFFAOYSA-N
TotalMolweight	371.416
Molweight	371.416
MonoisotopicMass	371.093977
CLogP	2.515
CLogS	-5.299
H Acceptors	7
H Donors	2
TotalSurfaceArea	276.15
Relative PSA	0.37512
PolarSurfaceArea	146.25
Druglikeness	-7.2071
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	5
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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

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