(E)-N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenyl-N-prop-2-enylethenesulfonamide
Formula:C26H25N2O3ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenyl-N-prop-2-enylethenesulfonamide is not a drug-like molecule.
| MolName | (E)-N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenyl-N-prop-2-enylethenesulfonamide |
| MolecularFormula | C26H25N2O3ClS2 |
| Smiles | C=CCN(CC(N(CCc1c2ccs1)C2c(cc1)ccc1Cl)=O)S(/C=C/c1ccccc1)(=O)=O |
| InChI | InChI=1S/C26H25ClN2O3S2/c1-2-15-28(34(31,32)18-14-20-6-4-3-5-7-20)19-25(30)29-16-12-24-23(13-17-33-24)26(29)21-8-10-22(27)11-9-21/h2-11,13-14,17-18,26H,1,12,15-16,19H2/t26-/m1/s1 |
| InChIK | JDHKOHHZIQJDMU-AREMUKBSSA-N |
| TotalMolweight | 513.081 |
| Molweight | 513.081 |
| MonoisotopicMass | 512.09951 |
| CLogP | 5.5442 |
| CLogS | -5.777 |
| H Acceptors | 5 |
| TotalSurfaceArea | 376.15 |
| Relative PSA | 0.18365 |
| PolarSurfaceArea | 94.31 |
| Druglikeness | 3.6505 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 6 |
| Symmetricatoms | 5 |
| Amides | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (E)-N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenyl-N-prop-2-enylethenesulfonamide | 2 - (E)-N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenyl-N-prop-2-enylethenesulfonamide
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