| MolName | 2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide |
| MolecularFormula | C22H27N2O5FS |
| Smiles | COc(ccc(S(N(CC(Nc(cc1)ccc1F)=O)C1CCCCC1)(=O)=O)c1)c1OC |
| InChI | InChI=1S/C22H27FN2O5S/c1-29-20-13-12-19(14-21(20)30-2)31(27,28)25(18-6-4-3-5-7-18)15-22(26)24-17-10-8-16(23)9-11-17/h8-14,18H,3-7,15H2,1-2H3,(H,24,26) |
| InChIK | XBWFVVUTQRLKCA-UHFFFAOYSA-N |
| TotalMolweight | 450.529 |
| Molweight | 450.529 |
| MonoisotopicMass | 450.162471 |
| CLogP | 3.1871 |
| CLogS | -3.953 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 333.54 |
| Relative PSA | 0.22975 |
| PolarSurfaceArea | 93.32 |
| Druglikeness | -4.8514 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 12 |
| Symmetricatoms | 5 |
| Amides | 2 |
| StereoCon |
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1 - 2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide | 2 - 2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide