N-(oxolan-2-ylmethyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

Formula:C22H24N2O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(oxolan-2-ylmethyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is a drug-like molecule.

MolName	N-(oxolan-2-ylmethyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
MolecularFormula	C22H24N2O3S
Smiles	O=C(/C=C/c1ccccc1)Nc1c(C(NCC2OCCC2)=O)c(CCC2)c2s1
InChI	InChI=1S/C22H24N2O3S/c25-19(12-11-15-6-2-1-3-7-15)24-22-20(17-9-4-10-18(17)28-22)21(26)23-14-16-8-5-13-27-16/h1-3,6-7,11-12,16H,4-5,8-10,13-14H2,(H,23,26)(H,24,25)/t16-/m1/s1
InChIK	VQVBYSJVROBOTP-MRXNPFEDSA-N
TotalMolweight	396.51
Molweight	396.51
MonoisotopicMass	396.150763
CLogP	3.7459
CLogS	-5.17
H Acceptors	5
H Donors	2
TotalSurfaceArea	305.7
Relative PSA	0.2596
PolarSurfaceArea	95.67
Druglikeness	-0.023132
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	9
Symmetricatoms	2
Amides	2
StereoCon	racemate

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1 - N-(oxolan-2-ylmethyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide | 2 - N-(oxolan-2-ylmethyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

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