N-[(Z)-[3-[(2-chlorobenzoyl)amino]phenyl]methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
Formula:C25H19N4O4ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-[(2-chlorobenzoyl)amino]phenyl]methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide is not a drug-like molecule.
| MolName | N-[(Z)-[3-[(2-chlorobenzoyl)amino]phenyl]methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide |
| MolecularFormula | C25H19N4O4ClS2 |
| Smiles | O=C(c(cccc1)c1Cl)Nc1cc(/C=N\NC(c(cccc2)c2NS(c2cccs2)(=O)=O)=O)ccc1 |
| InChI | InChI=1S/C25H19ClN4O4S2/c26-21-11-3-1-9-19(21)24(31)28-18-8-5-7-17(15-18)16-27-29-25(32)20-10-2-4-12-22(20)30-36(33,34)23-13-6-14-35-23/h1-16,30H,(H,28,31)(H,29,32) |
| InChIK | NOPPHYVEAWKBRD-UHFFFAOYSA-N |
| TotalMolweight | 539.035 |
| Molweight | 539.035 |
| MonoisotopicMass | 538.053623 |
| CLogP | 5.2433 |
| CLogS | -7.219 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 387.12 |
| Relative PSA | 0.31233 |
| PolarSurfaceArea | 153.35 |
| Druglikeness | 7.0964 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 1 |
| Amides | 2 |
| StereoCon |
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1 - N-[(Z)-[3-[(2-chlorobenzoyl)amino]phenyl]methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide | 2 - N-[(Z)-[3-[(2-chlorobenzoyl)amino]phenyl]methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
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