| MolName | N-(4-chloro-2-methoxy-5-methylphenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide |
| MolecularFormula | C21H21N2O4ClS |
| Smiles | Cc(cc(c(OC)c1)NC(CN(C)S(c2cc3ccccc3cc2)(=O)=O)=O)c1Cl |
| InChI | InChI=1S/C21H21ClN2O4S/c1-14-10-19(20(28-3)12-18(14)22)23-21(25)13-24(2)29(26,27)17-9-8-15-6-4-5-7-16(15)11-17/h4-12H,13H2,1-3H3,(H,23,25) |
| InChIK | ZKFIIVJJGDZRRW-UHFFFAOYSA-N |
| TotalMolweight | 432.927 |
| Molweight | 432.927 |
| MonoisotopicMass | 432.091055 |
| CLogP | 3.7449 |
| CLogS | -4.733 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 311.67 |
| Relative PSA | 0.21378 |
| PolarSurfaceArea | 84.09 |
| Druglikeness | 3.1911 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 6 |
| Symmetricatoms | 1 |
| Amides | 2 |
| StereoCon |
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1 - N-(4-chloro-2-methoxy-5-methylphenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide | 2 - N-(4-chloro-2-methoxy-5-methylphenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide