(E)-3-thiophen-2-yl-N-[[4-[[2-(trifluoromethyl)phenyl]sulfamoyl]phenyl]carbamothioyl]prop-2-enamide

Formula:C21H16N3O3F3S3 Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-3-thiophen-2-yl-N-[[4-[[2-(trifluoromethyl)phenyl]sulfamoyl]phenyl]carbamothioyl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-thiophen-2-yl-N-[[4-[[2-(trifluoromethyl)phenyl]sulfamoyl]phenyl]carbamothioyl]prop-2-enamide
MolecularFormula	C21H16N3O3F3S3
Smiles	O=C(/C=C/c1cccs1)NC(Nc(cc1)ccc1S(Nc1c(C(F)(F)F)cccc1)(=O)=O)=S
InChI	InChI=1S/C21H16F3N3O3S3/c22-21(23,24)17-5-1-2-6-18(17)27-33(29,30)16-10-7-14(8-11-16)25-20(31)26-19(28)12-9-15-4-3-13-32-15/h1-13,27H,(H2,25,26,28,31)
InChIK	BPLDDSYDBFQVGF-UHFFFAOYSA-N
TotalMolweight	511.568
Molweight	511.568
MonoisotopicMass	511.030586
CLogP	4.3327
CLogS	-6.164
H Acceptors	6
H Donors	3
TotalSurfaceArea	358.1
Relative PSA	0.34728
PolarSurfaceArea	156.01
Druglikeness	-5.1837
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.57576
Fragments	1
Non HAtoms	33
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	5
Amides	2
StereoCon

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