[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate

Formula:C20H17N2O4F3S Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate is a drug-like molecule.

MolName	[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
MolecularFormula	C20H17N2O4F3S
Smiles	NC(c1c(NC(COC(/C=C/c2cc(C(F)(F)F)ccc2)=O)=O)sc2c1CCC2)=O
InChI	InChI=1S/C20H17F3N2O4S/c21-20(22,23)12-4-1-3-11(9-12)7-8-16(27)29-10-15(26)25-19-17(18(24)28)13-5-2-6-14(13)30-19/h1,3-4,7-9H,2,5-6,10H2,(H2,24,28)(H,25,26)
InChIK	BLUMECJRMJXFJP-UHFFFAOYSA-N
TotalMolweight	438.425
Molweight	438.425
MonoisotopicMass	438.086112
CLogP	3.5008
CLogS	-5.25
H Acceptors	6
H Donors	2
TotalSurfaceArea	309.69
Relative PSA	0.31067
PolarSurfaceArea	126.73
Druglikeness	-6.8322
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	6
Symmetricatoms	2
Amides	2
StereoCon

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1 - [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate | 2 - [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate

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