N-[(E)-1-(4-bromophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]thiophene-2-carboxamide

Formula:C19H19N2O2BrS Mutagenic:none Tumorigenic:none Reproductive Effective:low N-[(E)-1-(4-bromophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]thiophene-2-carboxamide is a drug-like molecule.

MolName	N-[(E)-1-(4-bromophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]thiophene-2-carboxamide
MolecularFormula	C19H19N2O2BrS
Smiles	O=C(/C(/NC(c1cccs1)=O)=C\c(cc1)ccc1Br)N1CCCCC1
InChI	InChI=1S/C19H19BrN2O2S/c20-15-8-6-14(7-9-15)13-16(19(24)22-10-2-1-3-11-22)21-18(23)17-5-4-12-25-17/h4-9,12-13H,1-3,10-11H2,(H,21,23)
InChIK	OAXVLUNFZHMNJP-UHFFFAOYSA-N
TotalMolweight	419.342
Molweight	419.342
MonoisotopicMass	418.035059
CLogP	4.7064
CLogS	-4.804
H Acceptors	4
H Donors	1
TotalSurfaceArea	284.86
Relative PSA	0.21572
PolarSurfaceArea	77.65
Druglikeness	3.1741
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.48
Fragments	1
Non HAtoms	25
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	5
Symmetricatoms	4
Amides	2
StereoCon

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