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

Formula:C21H21N3O4ClFS3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(2E)-2-(5-chlorothiophen-2-yl)sulfonylimino-3-cyclohexyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide is not a drug-like molecule.

MolName	2-[(2E)-2-(5-chlorothiophen-2-yl)sulfonylimino-3-cyclohexyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
MolecularFormula	C21H21N3O4ClFS3
Smiles	O=C(CC(C(N1C2CCCCC2)=O)S/C1=N/S(c(s1)ccc1Cl)(=O)=O)Nc(cc1)ccc1F
InChI	InChI=1S/C21H21ClFN3O4S3/c22-17-10-11-19(32-17)33(29,30)25-21-26(15-4-2-1-3-5-15)20(28)16(31-21)12-18(27)24-14-8-6-13(23)7-9-14/h6-11,15-16H,1-5,12H2,(H,24,27)/t16-/m1/s1
InChIK	JTWNCWNBPYWNNU-MRXNPFEDSA-N
TotalMolweight	530.064
Molweight	530.064
MonoisotopicMass	529.036672
CLogP	4.8004
CLogS	-6.047
H Acceptors	7
H Donors	1
TotalSurfaceArea	357.59
Relative PSA	0.33287
PolarSurfaceArea	157.83
Druglikeness	-0.40979
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51515
Fragments	1
Non HAtoms	33
NonCHAtoms	12
Electronegative Atoms	12
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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