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

Formula:C26H25N2O2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-N-(2-phenylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is not a drug-like molecule.

MolName	2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-N-(2-phenylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
MolecularFormula	C26H25N2O2ClS
Smiles	O=C(/C=C/c(cc1)ccc1Cl)Nc1c(C(NCCc2ccccc2)=O)c(CCCC2)c2s1
InChI	InChI=1S/C26H25ClN2O2S/c27-20-13-10-19(11-14-20)12-15-23(30)29-26-24(21-8-4-5-9-22(21)32-26)25(31)28-17-16-18-6-2-1-3-7-18/h1-3,6-7,10-15H,4-5,8-9,16-17H2,(H,28,31)(H,29,30)
InChIK	NOXOOXSHGOMLAA-UHFFFAOYSA-N
TotalMolweight	465.016
Molweight	465.016
MonoisotopicMass	464.132525
CLogP	6.2423
CLogS	-6.926
H Acceptors	4
H Donors	2
TotalSurfaceArea	358.12
Relative PSA	0.19368
PolarSurfaceArea	86.44
Druglikeness	-1.6896
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59375
Fragments	1
Non HAtoms	32
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	6
Symmetricatoms	4
Amides	2
StereoCon

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

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