2-[(2E)-3-cyclohexyl-4-oxo-2-thiophen-2-ylsulfonylimino-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide

Formula:C21H22N3O4FS3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(2E)-3-cyclohexyl-4-oxo-2-thiophen-2-ylsulfonylimino-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide is a drug-like molecule.

MolName	2-[(2E)-3-cyclohexyl-4-oxo-2-thiophen-2-ylsulfonylimino-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
MolecularFormula	C21H22N3O4FS3
Smiles	O=C(CC(C(N1C2CCCCC2)=O)S/C1=N/S(c1cccs1)(=O)=O)Nc(cc1)ccc1F
InChI	InChI=1S/C21H22FN3O4S3/c22-14-8-10-15(11-9-14)23-18(26)13-17-20(27)25(16-5-2-1-3-6-16)21(31-17)24-32(28,29)19-7-4-12-30-19/h4,7-12,16-17H,1-3,5-6,13H2,(H,23,26)/t17-/m1/s1
InChIK	WCGRIGGFZRUXEI-QGZVFWFLSA-N
TotalMolweight	495.619
Molweight	495.619
MonoisotopicMass	495.075645
CLogP	3.9897
CLogS	-5.294
H Acceptors	7
H Donors	1
TotalSurfaceArea	342.17
Relative PSA	0.34787
PolarSurfaceArea	157.83
Druglikeness	-0.36059
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	32
NonCHAtoms	11
Electronegative Atoms	11
StereoCenters	1
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	10
Symmetricatoms	5
Amides	2
StereoCon	racemate

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