N-[2-[(5E)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-[(2-fluorophenyl)sulfonylamino]propanamide
Formula:C21H19N3O5F2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[(5E)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-[(2-fluorophenyl)sulfonylamino]propanamide is a drug-like molecule.
| MolName | N-[2-[(5E)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-[(2-fluorophenyl)sulfonylamino]propanamide |
| MolecularFormula | C21H19N3O5F2S2 |
| Smiles | O=C(CCNS(c(cccc1)c1F)(=O)=O)NCCN(C(/C(/S1)=C\c(cc2)ccc2F)=O)C1=O |
| InChI | InChI=1S/C21H19F2N3O5S2/c22-15-7-5-14(6-8-15)13-17-20(28)26(21(29)32-17)12-11-24-19(27)9-10-25-33(30,31)18-4-2-1-3-16(18)23/h1-8,13,25H,9-12H2,(H,24,27) |
| InChIK | PBOIYVYDQGPXQI-UHFFFAOYSA-N |
| TotalMolweight | 495.526 |
| Molweight | 495.526 |
| MonoisotopicMass | 495.073418 |
| CLogP | 2.1024 |
| CLogS | -4.237 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 344.51 |
| Relative PSA | 0.32411 |
| PolarSurfaceArea | 146.33 |
| Druglikeness | 6.0961 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Amides | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-[2-[(5E)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-[(2-fluorophenyl)sulfonylamino]propanamide | 2 - N-[2-[(5E)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-[(2-fluorophenyl)sulfonylamino]propanamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off