| MolName | 2-[(4-chlorophenyl)sulfonyl-cyclopropylamino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide |
| MolecularFormula | C23H22N2O3ClFS2 |
| Smiles | O=C(CN(C1CC1)S(c(cc1)ccc1Cl)(=O)=O)N(Cc1cccs1)Cc(cc1)ccc1F |
| InChI | InChI=1S/C23H22ClFN2O3S2/c24-18-5-11-22(12-6-18)32(29,30)27(20-9-10-20)16-23(28)26(15-21-2-1-13-31-21)14-17-3-7-19(25)8-4-17/h1-8,11-13,20H,9-10,14-16H2 |
| InChIK | WSZYTRVNGPPXKM-UHFFFAOYSA-N |
| TotalMolweight | 493.022 |
| Molweight | 493.022 |
| MonoisotopicMass | 492.074438 |
| CLogP | 4.1677 |
| CLogS | -4.63 |
| H Acceptors | 5 |
| TotalSurfaceArea | 345.22 |
| Relative PSA | 0.2001 |
| PolarSurfaceArea | 94.31 |
| Druglikeness | 6.962 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amides | 2 |
| StereoCon |
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1 - 2-[(4-chlorophenyl)sulfonyl-cyclopropylamino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide | 2 - 2-[(4-chlorophenyl)sulfonyl-cyclopropylamino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide