(E)-N-cyclohexyl-N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylethenesulfonamide
Formula:C29H30N2O3Cl2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-cyclohexyl-N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylethenesulfonamide is not a drug-like molecule.
| MolName | (E)-N-cyclohexyl-N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylethenesulfonamide |
| MolecularFormula | C29H30N2O3Cl2S2 |
| Smiles | O=C(CN(C1CCCCC1)S(/C=C/c1ccccc1)(=O)=O)N(CCc1c2ccs1)C2c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C29H30Cl2N2O3S2/c30-22-11-12-24(26(31)19-22)29-25-14-17-37-27(25)13-16-32(29)28(34)20-33(23-9-5-2-6-10-23)38(35,36)18-15-21-7-3-1-4-8-21/h1,3-4,7-8,11-12,14-15,17-19,23,29H,2,5-6,9-10,13,16,20H2/t29-/m1/s1 |
| InChIK | CRVGBBGTMONMEK-GDLZYMKVSA-N |
| TotalMolweight | 589.606 |
| Molweight | 589.606 |
| MonoisotopicMass | 588.107487 |
| CLogP | 7.0307 |
| CLogS | -7.578 |
| H Acceptors | 5 |
| TotalSurfaceArea | 421.07 |
| Relative PSA | 0.16406 |
| PolarSurfaceArea | 94.31 |
| Druglikeness | -2.4396 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44737 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 11 |
| Symmetricatoms | 5 |
| Amides | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (E)-N-cyclohexyl-N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylethenesulfonamide | 2 - (E)-N-cyclohexyl-N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylethenesulfonamide
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