2-[N-(benzenesulfonyl)anilino]-N-[(Z)-[4-(thietan-3-yloxy)phenyl]methylideneamino]acetamide
Formula:C24H23N3O4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[N-(benzenesulfonyl)anilino]-N-[(Z)-[4-(thietan-3-yloxy)phenyl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[N-(benzenesulfonyl)anilino]-N-[(Z)-[4-(thietan-3-yloxy)phenyl]methylideneamino]acetamide |
| MolecularFormula | C24H23N3O4S2 |
| Smiles | O=C(CN(c1ccccc1)S(c1ccccc1)(=O)=O)N/N=C\c(cc1)ccc1OC1CSC1 |
| InChI | InChI=1S/C24H23N3O4S2/c28-24(26-25-15-19-11-13-21(14-12-19)31-22-17-32-18-22)16-27(20-7-3-1-4-8-20)33(29,30)23-9-5-2-6-10-23/h1-15,22H,16-18H2,(H,26,28) |
| InChIK | NWVKHQSNVVSPBO-UHFFFAOYSA-N |
| TotalMolweight | 481.596 |
| Molweight | 481.596 |
| MonoisotopicMass | 481.112997 |
| CLogP | 3.0954 |
| CLogS | -5.775 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 353.4 |
| Relative PSA | 0.2706 |
| PolarSurfaceArea | 121.75 |
| Druglikeness | 0.53712 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57576 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 8 |
| Amides | 1 |
| StereoCon |
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1 - 2-[N-(benzenesulfonyl)anilino]-N-[(Z)-[4-(thietan-3-yloxy)phenyl]methylideneamino]acetamide | 2 - 2-[N-(benzenesulfonyl)anilino]-N-[(Z)-[4-(thietan-3-yloxy)phenyl]methylideneamino]acetamide
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