(E)-3-(2-nitrophenyl)-N-(4-piperidin-1-ylsulfonylphenyl)prop-2-enamide

Formula:C20H21N3O5S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(2-nitrophenyl)-N-(4-piperidin-1-ylsulfonylphenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(2-nitrophenyl)-N-(4-piperidin-1-ylsulfonylphenyl)prop-2-enamide
MolecularFormula	C20H21N3O5S
Smiles	[O-][N+](c1c(/C=C/C(Nc(cc2)ccc2S(N2CCCCC2)(=O)=O)=O)cccc1)=O
InChI	InChI=1S/C20H21N3O5S/c24-20(13-8-16-6-2-3-7-19(16)23(25)26)21-17-9-11-18(12-10-17)29(27,28)22-14-4-1-5-15-22/h2-3,6-13H,1,4-5,14-15H2,(H,21,24)
InChIK	YHVACVJXPHQQQM-UHFFFAOYSA-N
TotalMolweight	415.469
Molweight	415.469
MonoisotopicMass	415.120192
CLogP	2.4215
CLogS	-4.053
H Acceptors	8
H Donors	1
TotalSurfaceArea	306.58
Relative PSA	0.28394
PolarSurfaceArea	120.68
Druglikeness	-5.116
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	5
Amides	2
AcidicOxygens	1
StereoCon

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