3-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[(Z)-thiophen-2-ylmethylideneamino]propanamide
Formula:C19H18N3O4ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[(Z)-thiophen-2-ylmethylideneamino]propanamide is a drug-like molecule.
| MolName | 3-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[(Z)-thiophen-2-ylmethylideneamino]propanamide |
| MolecularFormula | C19H18N3O4ClS2 |
| Smiles | O=C(CCN(Cc1ccco1)S(c(cc1)ccc1Cl)(=O)=O)N/N=C\c1cccs1 |
| InChI | InChI=1S/C19H18ClN3O4S2/c20-15-5-7-18(8-6-15)29(25,26)23(14-16-3-1-11-27-16)10-9-19(24)22-21-13-17-4-2-12-28-17/h1-8,11-13H,9-10,14H2,(H,22,24) |
| InChIK | VETFDDGPHFYSEK-UHFFFAOYSA-N |
| TotalMolweight | 451.954 |
| Molweight | 451.954 |
| MonoisotopicMass | 451.042724 |
| CLogP | 3.5989 |
| CLogS | -4.643 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 327.96 |
| Relative PSA | 0.31287 |
| PolarSurfaceArea | 128.6 |
| Druglikeness | 8.4093 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - 3-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[(Z)-thiophen-2-ylmethylideneamino]propanamide | 2 - 3-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[(Z)-thiophen-2-ylmethylideneamino]propanamide
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