N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
Formula:C23H24N4O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide is a drug-like molecule.
| MolName | N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide |
| MolecularFormula | C23H24N4O3S2 |
| Smiles | O=C(CN1CCCC1)Nc1nc(-c(cc2)cc(CC3)c2N3S(c2ccccc2)(=O)=O)cs1 |
| InChI | InChI=1S/C23H24N4O3S2/c28-22(15-26-11-4-5-12-26)25-23-24-20(16-31-23)17-8-9-21-18(14-17)10-13-27(21)32(29,30)19-6-2-1-3-7-19/h1-3,6-9,14,16H,4-5,10-13,15H2,(H,24,25,28) |
| InChIK | ZVCRPYQGOBRHTG-UHFFFAOYSA-N |
| TotalMolweight | 468.601 |
| Molweight | 468.601 |
| MonoisotopicMass | 468.128981 |
| CLogP | 3.4399 |
| CLogS | -5.07 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 335.19 |
| Relative PSA | 0.27301 |
| PolarSurfaceArea | 119.23 |
| Druglikeness | -1.1711 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | limit! thiazol-2-ylamine |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 9 |
| Symmetricatoms | 5 |
| Amides | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide | 2 - N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
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