N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
Formula:C22H22N3O5FS3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is not a drug-like molecule.
| MolName | N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide |
| MolecularFormula | C22H22N3O5FS3 |
| Smiles | O=C(C(CC1)CCN1S(c1cccs1)(=O)=O)NCCN(C(/C(/S1)=C/c(cc2)ccc2F)=O)C1=O |
| InChI | InChI=1S/C22H22FN3O5S3/c23-17-5-3-15(4-6-17)14-18-21(28)26(22(29)33-18)12-9-24-20(27)16-7-10-25(11-8-16)34(30,31)19-2-1-13-32-19/h1-6,13-14,16H,7-12H2,(H,24,27) |
| InChIK | ASNMJNULVVLXHD-UHFFFAOYSA-N |
| TotalMolweight | 523.629 |
| Molweight | 523.629 |
| MonoisotopicMass | 523.07056 |
| CLogP | 2.4807 |
| CLogS | -3.972 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 359.46 |
| Relative PSA | 0.34527 |
| PolarSurfaceArea | 165.78 |
| Druglikeness | 7.625 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.61765 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 9 |
| Symmetricatoms | 5 |
| Amides | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide | 2 - N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
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