C25H24N2O4S2 | Cheminformatics

3-acetyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide

Formula:C25H24N2O4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-acetyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide is a drug-like molecule.

MolName3-acetyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
MolecularFormulaC25H24N2O4S2
SmilesCC(c1cccc(S(N(Cc2cccs2)CC2=Cc(c(C)cc(C)c3)c3NC2=O)(=O)=O)c1)=O
InChIInChI=1S/C25H24N2O4S2/c1-16-10-17(2)23-13-20(25(29)26-24(23)11-16)14-27(15-21-7-5-9-32-21)33(30,31)22-8-4-6-19(12-22)18(3)28/h4-13H,14-15H2,1-3H3,(H,26,29)
InChIKFUEHLVRGSHQJTL-UHFFFAOYSA-N
TotalMolweight480.608
Molweight480.608
MonoisotopicMass480.117748
CLogP3.5383
CLogS-5.312
H Acceptors6
H Donors1
TotalSurfaceArea350.07
Relative PSA0.25718
PolarSurfaceArea120.17
Druglikeness-0.83577
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.45455
Fragments1
Non HAtoms33
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond6
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms6
Symmetricatoms1
Amides2
StereoCon

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