(E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[[2-(thiophen-2-ylsulfonylamino)phenyl]carbamothioyl]prop-2-enamide

Formula:C24H24N4O6S4 Mutagenic:high Tumorigenic:none Reproductive Effective:high (E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[[2-(thiophen-2-ylsulfonylamino)phenyl]carbamothioyl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[[2-(thiophen-2-ylsulfonylamino)phenyl]carbamothioyl]prop-2-enamide
MolecularFormula	C24H24N4O6S4
Smiles	O=C(/C=C/c(cc1)ccc1S(N1CCOCC1)(=O)=O)NC(Nc(cccc1)c1NS(c1cccs1)(=O)=O)=S
InChI	InChI=1S/C24H24N4O6S4/c29-22(12-9-18-7-10-19(11-8-18)38(32,33)28-13-15-34-16-14-28)26-24(35)25-20-4-1-2-5-21(20)27-37(30,31)23-6-3-17-36-23/h1-12,17,27H,13-16H2,(H2,25,26,29,35)
InChIK	MZUPSUQHVRTBDR-UHFFFAOYSA-N
TotalMolweight	592.741
Molweight	592.741
MonoisotopicMass	592.057866
CLogP	2.6497
CLogS	-4.499
H Acceptors	10
H Donors	3
TotalSurfaceArea	419.06
Relative PSA	0.39729
PolarSurfaceArea	211
Druglikeness	2.8489
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.57895
Fragments	1
Non HAtoms	38
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	8
Symmetricatoms	6
Amides	3
StereoCon

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1 - (E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[[2-(thiophen-2-ylsulfonylamino)phenyl]carbamothioyl]prop-2-enamide | 2 - (E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[[2-(thiophen-2-ylsulfonylamino)phenyl]carbamothioyl]prop-2-enamide

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