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

Formula:C20H22N2O4S Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(oxolan-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is a drug-like molecule.

MolName	2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(oxolan-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
MolecularFormula	C20H22N2O4S
Smiles	O=C(/C=C/c1ccco1)Nc1c(C(NCC2OCCC2)=O)c(CCC2)c2s1
InChI	InChI=1S/C20H22N2O4S/c23-17(9-8-13-4-2-10-25-13)22-20-18(15-6-1-7-16(15)27-20)19(24)21-12-14-5-3-11-26-14/h2,4,8-10,14H,1,3,5-7,11-12H2,(H,21,24)(H,22,23)/t14-/m1/s1
InChIK	MVUUWYAGZKEYGD-CQSZACIVSA-N
TotalMolweight	386.471
Molweight	386.471
MonoisotopicMass	386.130028
CLogP	2.9346
CLogS	-4.852
H Acceptors	6
H Donors	2
TotalSurfaceArea	295.39
Relative PSA	0.31643
PolarSurfaceArea	108.81
Druglikeness	-0.080781
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	9
Amides	2
StereoCon	racemate

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

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