2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide

Formula:C20H21N2O2FS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide is a drug-like molecule.

MolName	2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
MolecularFormula	C20H21N2O2FS
Smiles	NC(c1c(NC(/C=C/c(cc2)ccc2F)=O)sc2c1CCCCCC2)=O
InChI	InChI=1S/C20H21FN2O2S/c21-14-10-7-13(8-11-14)9-12-17(24)23-20-18(19(22)25)15-5-3-1-2-4-6-16(15)26-20/h7-12H,1-6H2,(H2,22,25)(H,23,24)
InChIK	NBUQYLBZJWGHMX-UHFFFAOYSA-N
TotalMolweight	372.463
Molweight	372.463
MonoisotopicMass	372.130776
CLogP	4.74
CLogS	-5.693
H Acceptors	4
H Donors	2
TotalSurfaceArea	286.35
Relative PSA	0.25553
PolarSurfaceArea	100.43
Druglikeness	-3.5241
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	3
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	6
Symmetricatoms	2
Amides	2
StereoCon

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1 - 2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide | 2 - 2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide

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