2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
Formula:C27H24N3O3ClS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide |
| MolecularFormula | C27H24N3O3ClS |
| Smiles | O=C(CN(CCc1ccccc1)S(c(cc1)ccc1Cl)(=O)=O)N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C27H24ClN3O3S/c28-24-13-15-25(16-14-24)35(33,34)31(18-17-21-7-2-1-3-8-21)20-27(32)30-29-19-23-11-6-10-22-9-4-5-12-26(22)23/h1-16,19H,17-18,20H2,(H,30,32) |
| InChIK | ACMVOJZNBQRGEU-UHFFFAOYSA-N |
| TotalMolweight | 506.025 |
| Molweight | 506.025 |
| MonoisotopicMass | 505.122689 |
| CLogP | 5.7137 |
| CLogS | -6.399 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 376.93 |
| Relative PSA | 0.18078 |
| PolarSurfaceArea | 87.22 |
| Druglikeness | 7.5275 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48571 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide | 2 - 2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off