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

Formula:C23H26N2O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(oxolan-2-ylmethyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is a drug-like molecule.

MolName	N-(oxolan-2-ylmethyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
MolecularFormula	C23H26N2O3S
Smiles	O=C(/C=C/c1ccccc1)Nc1c(C(NCC2OCCC2)=O)c(CCCC2)c2s1
InChI	InChI=1S/C23H26N2O3S/c26-20(13-12-16-7-2-1-3-8-16)25-23-21(18-10-4-5-11-19(18)29-23)22(27)24-15-17-9-6-14-28-17/h1-3,7-8,12-13,17H,4-6,9-11,14-15H2,(H,24,27)(H,25,26)/t17-/m1/s1
InChIK	HTMCQSLRWYFYAO-QGZVFWFLSA-N
TotalMolweight	410.536
Molweight	410.536
MonoisotopicMass	410.166413
CLogP	4.0879
CLogS	-5.44
H Acceptors	5
H Donors	2
TotalSurfaceArea	319.46
Relative PSA	0.24842
PolarSurfaceArea	95.67
Druglikeness	-2.3531
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	6
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 - N-(oxolan-2-ylmethyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | 2 - N-(oxolan-2-ylmethyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

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