2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
Formula:C20H18N3O3BrS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide |
| MolecularFormula | C20H18N3O3BrS2 |
| Smiles | O=C(CN(Cc1ccccc1)S(c(cc1)ccc1Br)(=O)=O)N/N=C\c1cccs1 |
| InChI | InChI=1S/C20H18BrN3O3S2/c21-17-8-10-19(11-9-17)29(26,27)24(14-16-5-2-1-3-6-16)15-20(25)23-22-13-18-7-4-12-28-18/h1-13H,14-15H2,(H,23,25) |
| InChIK | CMROYGQXCXWZLN-UHFFFAOYSA-N |
| TotalMolweight | 492.417 |
| Molweight | 492.417 |
| MonoisotopicMass | 490.997293 |
| CLogP | 4.075 |
| CLogS | -4.789 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 327.72 |
| Relative PSA | 0.27005 |
| PolarSurfaceArea | 115.46 |
| Druglikeness | 6.3756 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide | 2 - 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
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