N-[(Z)-(4-cyanophenyl)methylideneamino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide
Formula:C23H17N5O5S4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-cyanophenyl)methylideneamino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide is not a drug-like molecule.
| MolName | N-[(Z)-(4-cyanophenyl)methylideneamino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide |
| MolecularFormula | C23H17N5O5S4 |
| Smiles | N#Cc1ccc(/C=N\NC(c2cc(NS(c3cccs3)(=O)=O)cc(NS(c3cccs3)(=O)=O)c2)=O)cc1 |
| InChI | InChI=1S/C23H17N5O5S4/c24-14-16-5-7-17(8-6-16)15-25-26-23(29)18-11-19(27-36(30,31)21-3-1-9-34-21)13-20(12-18)28-37(32,33)22-4-2-10-35-22/h1-13,15,27-28H,(H,26,29) |
| InChIK | NTKULQNMZNPGQF-UHFFFAOYSA-N |
| TotalMolweight | 571.682 |
| Molweight | 571.682 |
| MonoisotopicMass | 571.01125 |
| CLogP | 3.6136 |
| CLogS | -6.994 |
| H Acceptors | 10 |
| H Donors | 3 |
| TotalSurfaceArea | 400.18 |
| Relative PSA | 0.42573 |
| PolarSurfaceArea | 230.83 |
| Druglikeness | -7.6892 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48649 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 14 |
| Electronegative Atoms | 14 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 14 |
| Amides | 2 |
| StereoCon |
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1 - N-[(Z)-(4-cyanophenyl)methylideneamino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide | 2 - N-[(Z)-(4-cyanophenyl)methylideneamino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide
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