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2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[(Z)-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]acetamide

Formula:C29H28N4O5ClF3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[(Z)-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]acetamide is not a drug-like molecule.
MolName2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[(Z)-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]acetamide
MolecularFormulaC29H28N4O5ClF3S
SmilesO=C(CN(c(cc1)cc(C(F)(F)F)c1Cl)S(c1ccccc1)(=O)=O)N/N=C\c(cc1)ccc1OCC(N1CCCCC1)=O
InChIInChI=1S/C29H28ClF3N4O5S/c30-26-14-11-22(17-25(26)29(31,32)33)37(43(40,41)24-7-3-1-4-8-24)19-27(38)35-34-18-21-9-12-23(13-10-21)42-20-28(39)36-15-5-2-6-16-36/h1,3-4,7-14,17-18H,2,5-6,15-16,19-20H2,(H,35,38)
InChIKJFMRIOXHVYMZRQ-UHFFFAOYSA-N
TotalMolweight637.077
Molweight637.077
MonoisotopicMass636.142102
CLogP4.9183
CLogS-6.819
H Acceptors9
H Donors1
TotalSurfaceArea451.38
Relative PSA0.20987
PolarSurfaceArea116.76
Druglikeness-8.8789
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.51163
Fragments1
Non HAtoms43
NonCHAtoms14
Electronegative Atoms14
Rotatable Bond10
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms10
Symmetricatoms9
Amides2
StereoCon

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