| MolName | 2-[2-(benzenesulfonyl)ethylsulfanyl]-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide |
| MolecularFormula | C15H16N2O3S3 |
| Smiles | O=C(CSCCS(c1ccccc1)(=O)=O)N/N=C\c1cscc1 |
| InChI | InChI=1S/C15H16N2O3S3/c18-15(17-16-10-13-6-7-21-11-13)12-22-8-9-23(19,20)14-4-2-1-3-5-14/h1-7,10-11H,8-9,12H2,(H,17,18) |
| InChIK | OKYVDWCBMFIZFX-UHFFFAOYSA-N |
| TotalMolweight | 368.501 |
| Molweight | 368.501 |
| MonoisotopicMass | 368.032303 |
| CLogP | 2.3698 |
| CLogS | -4.339 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 270.28 |
| Relative PSA | 0.37901 |
| PolarSurfaceArea | 137.52 |
| Druglikeness | -12.015 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Symmetricatoms | 3 |
| StereoCon |
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1 - 2-[2-(benzenesulfonyl)ethylsulfanyl]-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide | 2 - 2-[2-(benzenesulfonyl)ethylsulfanyl]-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide