| MolName | 3-acetyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide |
| MolecularFormula | C25H24N2O4S2 |
| Smiles | CC(c1cccc(S(N(Cc2cccs2)CC2=Cc(c(C)cc(C)c3)c3NC2=O)(=O)=O)c1)=O |
| InChI | InChI=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) |
| InChIK | FUEHLVRGSHQJTL-UHFFFAOYSA-N |
| TotalMolweight | 480.608 |
| Molweight | 480.608 |
| MonoisotopicMass | 480.117748 |
| CLogP | 3.5383 |
| CLogS | -5.312 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 350.07 |
| Relative PSA | 0.25718 |
| PolarSurfaceArea | 120.17 |
| Druglikeness | -0.83577 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 6 |
| Symmetricatoms | 1 |
| Amides | 2 |
| StereoCon |
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1 - 3-acetyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide | 2 - 3-acetyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide