2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide
Formula:C19H22N3O4ClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide |
| MolecularFormula | C19H22N3O4ClS |
| Smiles | O=C(CN(C1CCCCC1)S(c(cc1)ccc1Cl)(=O)=O)N/N=C\c1ccco1 |
| InChI | InChI=1S/C19H22ClN3O4S/c20-15-8-10-18(11-9-15)28(25,26)23(16-5-2-1-3-6-16)14-19(24)22-21-13-17-7-4-12-27-17/h4,7-13,16H,1-3,5-6,14H2,(H,22,24) |
| InChIK | LHLRIWXRJKFFAK-UHFFFAOYSA-N |
| TotalMolweight | 423.92 |
| Molweight | 423.92 |
| MonoisotopicMass | 423.101954 |
| CLogP | 3.4155 |
| CLogS | -4.614 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 312.54 |
| Relative PSA | 0.26317 |
| PolarSurfaceArea | 100.36 |
| Druglikeness | -1.1485 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 8 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide | 2 - 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide
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