2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[(Z)-[4-(thietan-3-yloxy)phenyl]methylideneamino]acetamide
Formula:C24H22N3O4FS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[(Z)-[4-(thietan-3-yloxy)phenyl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[(Z)-[4-(thietan-3-yloxy)phenyl]methylideneamino]acetamide |
| MolecularFormula | C24H22N3O4FS2 |
| Smiles | O=C(CN(c(cccc1)c1F)S(c1ccccc1)(=O)=O)N/N=C\c(cc1)ccc1OC1CSC1 |
| InChI | InChI=1S/C24H22FN3O4S2/c25-22-8-4-5-9-23(22)28(34(30,31)21-6-2-1-3-7-21)15-24(29)27-26-14-18-10-12-19(13-11-18)32-20-16-33-17-20/h1-14,20H,15-17H2,(H,27,29) |
| InChIK | ZMMCEEIKKLENKL-UHFFFAOYSA-N |
| TotalMolweight | 499.586 |
| Molweight | 499.586 |
| MonoisotopicMass | 499.103575 |
| CLogP | 3.1962 |
| CLogS | -6.089 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 359.75 |
| Relative PSA | 0.26582 |
| PolarSurfaceArea | 121.75 |
| Druglikeness | -1.0196 |
| 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 |
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1 - 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[(Z)-[4-(thietan-3-yloxy)phenyl]methylideneamino]acetamide | 2 - 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[(Z)-[4-(thietan-3-yloxy)phenyl]methylideneamino]acetamide
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