2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(Z)-[4-(thietan-3-yloxy)phenyl]methylideneamino]acetamide
Formula:C24H22N3O4ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(Z)-[4-(thietan-3-yloxy)phenyl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(Z)-[4-(thietan-3-yloxy)phenyl]methylideneamino]acetamide |
| MolecularFormula | C24H22N3O4ClS2 |
| Smiles | O=C(CN(c1cccc(Cl)c1)S(c1ccccc1)(=O)=O)N/N=C\c(cc1)ccc1OC1CSC1 |
| InChI | InChI=1S/C24H22ClN3O4S2/c25-19-5-4-6-20(13-19)28(34(30,31)23-7-2-1-3-8-23)15-24(29)27-26-14-18-9-11-21(12-10-18)32-22-16-33-17-22/h1-14,22H,15-17H2,(H,27,29) |
| InChIK | OKFCHLMLSWVCNQ-UHFFFAOYSA-N |
| TotalMolweight | 516.041 |
| Molweight | 516.041 |
| MonoisotopicMass | 515.074024 |
| CLogP | 3.7014 |
| CLogS | -6.511 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 368.82 |
| Relative PSA | 0.25929 |
| PolarSurfaceArea | 121.75 |
| Druglikeness | 0.33707 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55882 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(Z)-[4-(thietan-3-yloxy)phenyl]methylideneamino]acetamide | 2 - 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(Z)-[4-(thietan-3-yloxy)phenyl]methylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off