| MolName | 2-(2-methylphenoxy)-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]acetamide |
| MolecularFormula | C24H26N2O4S |
| Smiles | Cc(cc1C)cc(C)c1NS(c(cc1)ccc1NC(COc1c(C)cccc1)=O)(=O)=O |
| InChI | InChI=1S/C24H26N2O4S/c1-16-13-18(3)24(19(4)14-16)26-31(28,29)21-11-9-20(10-12-21)25-23(27)15-30-22-8-6-5-7-17(22)2/h5-14,26H,15H2,1-4H3,(H,25,27) |
| InChIK | QCKWUYBHJMPNCS-UHFFFAOYSA-N |
| TotalMolweight | 438.546 |
| Molweight | 438.546 |
| MonoisotopicMass | 438.161328 |
| CLogP | 4.0567 |
| CLogS | -5.617 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 334.83 |
| Relative PSA | 0.22262 |
| PolarSurfaceArea | 92.88 |
| Druglikeness | -0.027182 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amides | 2 |
| StereoCon |
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1 - 2-(2-methylphenoxy)-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]acetamide | 2 - 2-(2-methylphenoxy)-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]acetamide