N-[(Z)-(2,4-difluorophenyl)methylideneamino]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
Formula:C17H17N3O3F2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,4-difluorophenyl)methylideneamino]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2,4-difluorophenyl)methylideneamino]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide |
| MolecularFormula | C17H17N3O3F2S2 |
| Smiles | O=C(C(CC1)CCN1S(c1cccs1)(=O)=O)N/N=C\c(ccc(F)c1)c1F |
| InChI | InChI=1S/C17H17F2N3O3S2/c18-14-4-3-13(15(19)10-14)11-20-21-17(23)12-5-7-22(8-6-12)27(24,25)16-2-1-9-26-16/h1-4,9-12H,5-8H2,(H,21,23) |
| InChIK | IXSGQKZOPVHZAF-UHFFFAOYSA-N |
| TotalMolweight | 413.468 |
| Molweight | 413.468 |
| MonoisotopicMass | 413.067938 |
| CLogP | 3.107 |
| CLogS | -3.983 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 288.55 |
| Relative PSA | 0.30671 |
| PolarSurfaceArea | 115.46 |
| Druglikeness | 6.7172 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-(2,4-difluorophenyl)methylideneamino]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide | 2 - N-[(Z)-(2,4-difluorophenyl)methylideneamino]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
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