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

Formula:C26H30N2O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(E)-3-cyclohex-3-en-1-ylprop-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-cyclohex-3-en-1-ylprop-2-enoyl]amino]-N-(2-phenylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
MolecularFormula	C26H30N2O2S
Smiles	O=C(/C=C/C1CC=CCC1)Nc1c(C(NCCc2ccccc2)=O)c(CCCC2)c2s1
InChI	InChI=1S/C26H30N2O2S/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/h1-3,5-6,11-12,15-16,19H,4,7-10,13-14,17-18H2,(H,27,30)(H,28,29)/t19-/m1/s1
InChIK	KUJBDZQBHYCFCH-LJQANCHMSA-N
TotalMolweight	434.602
Molweight	434.602
MonoisotopicMass	434.202798
CLogP	5.5886
CLogS	-6.06
H Acceptors	4
H Donors	2
TotalSurfaceArea	349.72
Relative PSA	0.19833
PolarSurfaceArea	86.44
Druglikeness	-5.9418
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.58065
Fragments	1
Non HAtoms	31
NonCHAtoms	5
Electronegative Atoms	5
StereoCenters	1
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	10
Symmetricatoms	2
Amides	2
StereoCon	racemate

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

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