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

Formula:C22H24N2O4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(1,1-dioxothiolan-3-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is a drug-like molecule.

MolName	N-(1,1-dioxothiolan-3-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
MolecularFormula	C22H24N2O4S2
Smiles	O=C(/C=C/c1ccccc1)Nc1c(C(NC(CC2)CS2(=O)=O)=O)c(CCCC2)c2s1
InChI	InChI=1S/C22H24N2O4S2/c25-19(11-10-15-6-2-1-3-7-15)24-22-20(17-8-4-5-9-18(17)29-22)21(26)23-16-12-13-30(27,28)14-16/h1-3,6-7,10-11,16H,4-5,8-9,12-14H2,(H,23,26)(H,24,25)/t16-/m1/s1
InChIK	IBRQAINZQFPGQE-MRXNPFEDSA-N
TotalMolweight	444.575
Molweight	444.575
MonoisotopicMass	444.117748
CLogP	3.1518
CLogS	-5.299
H Acceptors	6
H Donors	2
TotalSurfaceArea	324.28
Relative PSA	0.30202
PolarSurfaceArea	128.96
Druglikeness	-5.8318
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	9
Symmetricatoms	3
Amides	2
StereoCon	racemate

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

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