N-[(E)-3-(cycloheptylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide

Formula:C21H24N2O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-3-(cycloheptylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	N-[(E)-3-(cycloheptylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
MolecularFormula	C21H24N2O2S
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C\c1cccs1)NC1CCCCCC1
InChI	InChI=1S/C21H24N2O2S/c24-20(16-9-4-3-5-10-16)23-19(15-18-13-8-14-26-18)21(25)22-17-11-6-1-2-7-12-17/h3-5,8-10,13-15,17H,1-2,6-7,11-12H2,(H,22,25)(H,23,24)
InChIK	BVNZHKPFHKZIJR-UHFFFAOYSA-N
TotalMolweight	368.5
Molweight	368.5
MonoisotopicMass	368.155848
CLogP	4.4794
CLogS	-5.22
H Acceptors	4
H Donors	2
TotalSurfaceArea	293.65
Relative PSA	0.2362
PolarSurfaceArea	86.44
Druglikeness	-0.012227
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	26
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	7
Symmetricatoms	5
Amides	2
StereoCon

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