(NE)-N-(3-cyclohexyl-4-oxo-5-phenyl-1,3-thiazolidin-2-ylidene)thiophene-2-sulfonamide
Formula:C19H20N2O3S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-(3-cyclohexyl-4-oxo-5-phenyl-1,3-thiazolidin-2-ylidene)thiophene-2-sulfonamide is a drug-like molecule.
| MolName | (NE)-N-(3-cyclohexyl-4-oxo-5-phenyl-1,3-thiazolidin-2-ylidene)thiophene-2-sulfonamide |
| MolecularFormula | C19H20N2O3S3 |
| Smiles | O=C(C(c1ccccc1)S1)N(C2CCCCC2)/C1=N\S(c1cccs1)(=O)=O |
| InChI | InChI=1S/C19H20N2O3S3/c22-18-17(14-8-3-1-4-9-14)26-19(21(18)15-10-5-2-6-11-15)20-27(23,24)16-12-7-13-25-16/h1,3-4,7-9,12-13,15,17H,2,5-6,10-11H2/t17-/m0/s1 |
| InChIK | XQBJPMYFJQUWLX-KRWDZBQOSA-N |
| TotalMolweight | 420.577 |
| Molweight | 420.577 |
| MonoisotopicMass | 420.063603 |
| CLogP | 4.7607 |
| CLogS | -4.666 |
| H Acceptors | 5 |
| TotalSurfaceArea | 292.85 |
| Relative PSA | 0.32279 |
| PolarSurfaceArea | 128.73 |
| Druglikeness | 0.63823 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 9 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (NE)-N-(3-cyclohexyl-4-oxo-5-phenyl-1,3-thiazolidin-2-ylidene)thiophene-2-sulfonamide | 2 - (NE)-N-(3-cyclohexyl-4-oxo-5-phenyl-1,3-thiazolidin-2-ylidene)thiophene-2-sulfonamide
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