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

Formula:C24H22N3O2ClS Mutagenic:none Tumorigenic:high Reproductive Effective:none 2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is a drug-like molecule.

MolName	2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
MolecularFormula	C24H22N3O2ClS
Smiles	O=C(/C=C/c(cccc1)c1Cl)Nc1c(C(NCc2cnccc2)=O)c(CCCC2)c2s1
InChI	InChI=1S/C24H22ClN3O2S/c25-19-9-3-1-7-17(19)11-12-21(29)28-24-22(18-8-2-4-10-20(18)31-24)23(30)27-15-16-6-5-13-26-14-16/h1,3,5-7,9,11-14H,2,4,8,10,15H2,(H,27,30)(H,28,29)
InChIK	UWWGOMYWPGRSEO-UHFFFAOYSA-N
TotalMolweight	451.977
Molweight	451.977
MonoisotopicMass	451.112124
CLogP	4.8113
CLogS	-6.019
H Acceptors	5
H Donors	2
TotalSurfaceArea	343.12
Relative PSA	0.23412
PolarSurfaceArea	99.33
Druglikeness	-1.8477
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	5
Amides	2
Aromatic Nitrogens	1
StereoCon

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

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