2-[benzenesulfonyl(pyridin-2-yl)amino]-N-[(Z)-[4-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]acetamide
Formula:C28H24N5O5ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-[benzenesulfonyl(pyridin-2-yl)amino]-N-[(Z)-[4-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[benzenesulfonyl(pyridin-2-yl)amino]-N-[(Z)-[4-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]acetamide |
| MolecularFormula | C28H24N5O5ClS |
| Smiles | O=C(CN(c1ncccc1)S(c1ccccc1)(=O)=O)N/N=C\c(cc1)ccc1OCC(Nc1cccc(Cl)c1)=O |
| InChI | InChI=1S/C28H24ClN5O5S/c29-22-7-6-8-23(17-22)32-28(36)20-39-24-14-12-21(13-15-24)18-31-33-27(35)19-34(26-11-4-5-16-30-26)40(37,38)25-9-2-1-3-10-25/h1-18H,19-20H2,(H,32,36)(H,33,35) |
| InChIK | SSQVUUDXXIHRQE-UHFFFAOYSA-N |
| TotalMolweight | 578.048 |
| Molweight | 578.048 |
| MonoisotopicMass | 577.118667 |
| CLogP | 3.7297 |
| CLogS | -6.684 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 426.3 |
| Relative PSA | 0.2665 |
| PolarSurfaceArea | 138.44 |
| Druglikeness | 1.2362 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.575 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 10 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[benzenesulfonyl(pyridin-2-yl)amino]-N-[(Z)-[4-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]acetamide | 2 - 2-[benzenesulfonyl(pyridin-2-yl)amino]-N-[(Z)-[4-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]acetamide
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