(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-benzylprop-2-enamide

Formula:C22H26N2O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-benzylprop-2-enamide is a drug-like molecule.

MolName	(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-benzylprop-2-enamide
MolecularFormula	C22H26N2O3S
Smiles	O=C(/C=C/c(cc1)ccc1S(N1CCCCCC1)(=O)=O)NCc1ccccc1
InChI	InChI=1S/C22H26N2O3S/c25-22(23-18-20-8-4-3-5-9-20)15-12-19-10-13-21(14-11-19)28(26,27)24-16-6-1-2-7-17-24/h3-5,8-15H,1-2,6-7,16-18H2,(H,23,25)
InChIK	JGKXOHKIJQYAMB-UHFFFAOYSA-N
TotalMolweight	398.525
Molweight	398.525
MonoisotopicMass	398.166413
CLogP	3.3945
CLogS	-3.679
H Acceptors	5
H Donors	1
TotalSurfaceArea	310.43
Relative PSA	0.18242
PolarSurfaceArea	74.86
Druglikeness	-1.5755
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64286
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	8
Amides	2
StereoCon

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