2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
Formula:C22H21N4O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide |
| MolecularFormula | C22H21N4O3ClS |
| Smiles | O=C(CN(CCc1ccccc1)S(c(cc1)ccc1Cl)(=O)=O)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C22H21ClN4O3S/c23-20-8-10-21(11-9-20)31(29,30)27(14-12-18-5-2-1-3-6-18)17-22(28)26-25-16-19-7-4-13-24-15-19/h1-11,13,15-16H,12,14,17H2,(H,26,28) |
| InChIK | JGKMAHLKTUMWLZ-UHFFFAOYSA-N |
| TotalMolweight | 456.953 |
| Molweight | 456.953 |
| MonoisotopicMass | 456.102288 |
| CLogP | 3.5184 |
| CLogS | -3.998 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 341.09 |
| Relative PSA | 0.23193 |
| PolarSurfaceArea | 100.11 |
| Druglikeness | 8.2067 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide | 2 - 2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
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