2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]acetamide
Formula:C23H19N4O4FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]acetamide |
| MolecularFormula | C23H19N4O4FS |
| Smiles | N#CCOc1ccc(/C=N\NC(CN(c(cc2)ccc2F)S(c2ccccc2)(=O)=O)=O)cc1 |
| InChI | InChI=1S/C23H19FN4O4S/c24-19-8-10-20(11-9-19)28(33(30,31)22-4-2-1-3-5-22)17-23(29)27-26-16-18-6-12-21(13-7-18)32-15-14-25/h1-13,16H,15,17H2,(H,27,29) |
| InChIK | YBXQCTMXTLAPHW-UHFFFAOYSA-N |
| TotalMolweight | 466.492 |
| Molweight | 466.492 |
| MonoisotopicMass | 466.111104 |
| CLogP | 2.7335 |
| CLogS | -5.706 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 351.21 |
| Relative PSA | 0.2611 |
| PolarSurfaceArea | 120.24 |
| Druglikeness | -6.0542 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57576 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon |
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1 - 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]acetamide | 2 - 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]acetamide
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