3-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
Formula:C22H18N4O5S3
Mutagenic:none
Tumorigenic:low
Reproductive Effective:low
3-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide is not a drug-like molecule.
| MolName | 3-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide |
| MolecularFormula | C22H18N4O5S3 |
| Smiles | O=C(CCN(C(/C(/S1)=C/c2ccccc2)=O)C1=O)Nc(cc1)ccc1S(Nc1nccs1)(=O)=O |
| InChI | InChI=1S/C22H18N4O5S3/c27-19(10-12-26-20(28)18(33-22(26)29)14-15-4-2-1-3-5-15)24-16-6-8-17(9-7-16)34(30,31)25-21-23-11-13-32-21/h1-9,11,13-14H,10,12H2,(H,23,25)(H,24,27) |
| InChIK | VOOOXSFZYLEWJG-UHFFFAOYSA-N |
| TotalMolweight | 514.606 |
| Molweight | 514.606 |
| MonoisotopicMass | 514.043931 |
| CLogP | 2.9135 |
| CLogS | -5.397 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 358.75 |
| Relative PSA | 0.39858 |
| PolarSurfaceArea | 187.46 |
| Druglikeness | 7.744 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | low |
| 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 | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Amides | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 3-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide | 2 - 3-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off