(E)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-3-thiophen-2-ylprop-2-enamide
Formula:C21H18N2O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-3-thiophen-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-3-thiophen-2-ylprop-2-enamide |
| MolecularFormula | C21H18N2O3S2 |
| Smiles | O=C(/C=C/c1cccs1)Nc(cc1)ccc1S(N(CC1)c2c1cccc2)(=O)=O |
| InChI | InChI=1S/C21H18N2O3S2/c24-21(12-9-18-5-3-15-27-18)22-17-7-10-19(11-8-17)28(25,26)23-14-13-16-4-1-2-6-20(16)23/h1-12,15H,13-14H2,(H,22,24) |
| InChIK | RSZVEJWFEONVDA-UHFFFAOYSA-N |
| TotalMolweight | 410.517 |
| Molweight | 410.517 |
| MonoisotopicMass | 410.075883 |
| CLogP | 3.6195 |
| CLogS | -5.3 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 297.33 |
| Relative PSA | 0.25894 |
| PolarSurfaceArea | 103.1 |
| Druglikeness | 5.9982 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Amides | 2 |
| StereoCon |
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1 - (E)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-3-thiophen-2-ylprop-2-enamide | 2 - (E)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-3-thiophen-2-ylprop-2-enamide
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