(E)-3-(1,3-benzodioxol-5-yl)-N-(4-piperidin-1-ylsulfonylphenyl)prop-2-enamide

Formula:C21H22N2O5S Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-3-(1,3-benzodioxol-5-yl)-N-(4-piperidin-1-ylsulfonylphenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(1,3-benzodioxol-5-yl)-N-(4-piperidin-1-ylsulfonylphenyl)prop-2-enamide
MolecularFormula	C21H22N2O5S
Smiles	O=C(/C=C/c(cc1)cc2c1OCO2)Nc(cc1)ccc1S(N1CCCCC1)(=O)=O
InChI	InChI=1S/C21H22N2O5S/c24-21(11-5-16-4-10-19-20(14-16)28-15-27-19)22-17-6-8-18(9-7-17)29(25,26)23-12-2-1-3-13-23/h4-11,14H,1-3,12-13,15H2,(H,22,24)
InChIK	UFPBYLYRYJJGJH-UHFFFAOYSA-N
TotalMolweight	414.481
Molweight	414.481
MonoisotopicMass	414.124943
CLogP	3.4545
CLogS	-4.304
H Acceptors	7
H Donors	1
TotalSurfaceArea	303.17
Relative PSA	0.25276
PolarSurfaceArea	93.32
Druglikeness	1.835
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	5
Amides	2
StereoCon

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