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

Formula:C26H26N2O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(2-phenylethyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is not a drug-like molecule.

MolName	N-(2-phenylethyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
MolecularFormula	C26H26N2O2S
Smiles	O=C(/C=C/c1ccccc1)Nc1c(C(NCCc2ccccc2)=O)c(CCCC2)c2s1
InChI	InChI=1S/C26H26N2O2S/c29-23(16-15-19-9-3-1-4-10-19)28-26-24(21-13-7-8-14-22(21)31-26)25(30)27-18-17-20-11-5-2-6-12-20/h1-6,9-12,15-16H,7-8,13-14,17-18H2,(H,27,30)(H,28,29)
InChIK	SRKHRRCCIRCNNG-UHFFFAOYSA-N
TotalMolweight	430.57
Molweight	430.57
MonoisotopicMass	430.171498
CLogP	5.6363
CLogS	-6.19
H Acceptors	4
H Donors	2
TotalSurfaceArea	342.7
Relative PSA	0.20239
PolarSurfaceArea	86.44
Druglikeness	-1.742
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58065
Fragments	1
Non HAtoms	31
NonCHAtoms	5
Electronegative Atoms	5
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 - N-(2-phenylethyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | 2 - N-(2-phenylethyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

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