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

Formula:C22H22N2O4Cl2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-N-(1,1-dioxothiolan-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is not a drug-like molecule.

MolName	2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-N-(1,1-dioxothiolan-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
MolecularFormula	C22H22N2O4Cl2S2
Smiles	O=C(/C=C/c(ccc(Cl)c1)c1Cl)Nc1c(C(NC(CC2)CS2(=O)=O)=O)c(CCCC2)c2s1
InChI	InChI=1S/C22H22Cl2N2O4S2/c23-14-7-5-13(17(24)11-14)6-8-19(27)26-22-20(16-3-1-2-4-18(16)31-22)21(28)25-15-9-10-32(29,30)12-15/h5-8,11,15H,1-4,9-10,12H2,(H,25,28)(H,26,27)/t15-/m0/s1
InChIK	JLWPAKWSKMFYIG-HNNXBMFYSA-N
TotalMolweight	513.465
Molweight	513.465
MonoisotopicMass	512.039802
CLogP	4.3638
CLogS	-6.771
H Acceptors	6
H Donors	2
TotalSurfaceArea	355.12
Relative PSA	0.27579
PolarSurfaceArea	128.96
Druglikeness	-3.6221
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53125
Fragments	1
Non HAtoms	32
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	1
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	9
Symmetricatoms	1
Amides	2
StereoCon	racemate

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

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