RLNPOIDAXGSJRX-QJQBZEFWSA-N
C19H16F3N3O4S2 — CID 70897881
Data last refreshed: (MolForge compound catalog, from PubChem)
About RLNPOIDAXGSJRX-QJQBZEFWSA-N
RLNPOIDAXGSJRX-QJQBZEFWSA-N (PubChem CID 70897881) has the molecular formula C19H16F3N3O4S2 and a molecular weight of 471.48 g/mol. Its IUPAC name is trans-(1S,3R)-2-methyl-3-phenyl-1-[[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]sulfonylamino]cyclopropane-1-carboxamide.
Molecular Properties
| Compound Name | RLNPOIDAXGSJRX-QJQBZEFWSA-N |
|---|---|
| PubChem CID | 70897881 |
| Molecular Formula | C19H16F3N3O4S2 |
| Molecular Weight | 471.48 g/mol |
| Exact Mass | 471.05 |
| IUPAC Name | trans-(1S,3R)-2-methyl-3-phenyl-1-[[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]sulfonylamino]cyclopropane-1-carboxamide |
| SMILES | CC1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1)C(N)=O |
| InChI | InChI=1S/C19H16F3N3O4S2/c1-10-16(11-5-3-2-4-6-11)18(10,17(23)26)25-31(27,28)15-8-7-13(30-15)12-9-14(29-24-12)19(20,21)22/h2-10,16,25H,1H3,(H2,23,26)/t10?,16-,18+/m1/s1 |
| InChIKey | RLNPOIDAXGSJRX-QJQBZEFWSA-N |
| XLogP | 3.36 |
| TPSA | 115.29 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 31 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 471.48 |
| LogP ≤ 5 | 3.36 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
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Sources
- PubChem CID 70897881 — identifiers, structure, computed properties (public domain)
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