2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
Formula:C19H22N3O3BrS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide |
| MolecularFormula | C19H22N3O3BrS2 |
| Smiles | O=C(CN(C1CCCCC1)S(c(cc1)ccc1Br)(=O)=O)N/N=C\c1cccs1 |
| InChI | InChI=1S/C19H22BrN3O3S2/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 | HBOYPACPQDEAGI-UHFFFAOYSA-N |
| TotalMolweight | 484.438 |
| Molweight | 484.438 |
| MonoisotopicMass | 483.028593 |
| CLogP | 4.2126 |
| CLogS | -5.04 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 322 |
| Relative PSA | 0.27484 |
| PolarSurfaceArea | 115.46 |
| Druglikeness | -2.4111 |
| Mutagenic | none |
| 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-bromophenyl)sulfonyl-cyclohexylamino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide | 2 - 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
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