TL;DR: (2'R,3'S,5'R)-N-(4-fluorophenyl)-5-methyl-5'-(2-(methylthio)ethyl)-2-oxospiro[indoline-3,2'-pyrrolidine]-3'-carboxamide (CAS 1212388-85-6) is a chemical compound with molecular formula C22H24FN3O2S and molecular weight 413.15732 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3R,3'S,5'R)-N-(4-fluorophenyl)-5-methyl-5'-(2-methylsulfanylethyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide
Also Known As: (2'R,3'S,5'R)-N-(4-fluorophenyl)-5-methyl-5'-(2-(methylthio)ethyl)-2-oxospiro[indoline-3,2'-pyrrolidine]-3'-carboxamide, (3R,3'S,5'R)-N-(4-fluorophenyl)-5-methyl-5'-(2-methylsulfanylethyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide, (3R,3'S,5'R)-N-(4-fluorophenyl)-5-methyl-5'-[2-(methylsulfanyl)ethyl]-2-oxo-1,2-dihydrospiro[indole-3,2'-pyrrolidine]-3'-carboxamide
| Molecular Formula | C22H24FN3O2S |
| Molecular Weight | 413.15732 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.15732 Da |
| Heavy Atoms | 29 |
| Complexity | 627.0 |
| SMILES | CC1=CC2=C(C=C1)NC(=O)[C@@]23[C@H](C[C@@H](N3)CCSC)C(=O)NC4=CC=C(C=C4)F |
| InChIKey | BHMHCUVALATMGV-CECAUBDESA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2'R,3'S,5'R)-N-(4-fluorophenyl)-5-methyl-5'-(2-(methylthio)ethyl)-2-oxospiro[indoline-3,2'-pyrrolidine]-3'-carboxamide. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (2'R,3'S,5'R)-N-(4-fluorophenyl)-5-methyl-5'-(2-(methylthio)ethyl)-2-oxospiro[indoline-3,2'-pyrrolidine]-3'-carboxamide. Following Lipinski's Rule of Five, (2'R,3'S,5'R)-N-(4-fluorophenyl)-5-methyl-5'-(2-(methylthio)ethyl)-2-oxospiro[indoline-3,2'-pyrrolidine]-3'-carboxamide has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (2'R,3'S,5'R)-N-(4-fluorophenyl)-5-methyl-5'-(2-(methylthio)ethyl)-2-oxospiro[indoline-3,2'-pyrrolidine]-3'-carboxamide is 1212388-85-6.
The molecular formula of (2'R,3'S,5'R)-N-(4-fluorophenyl)-5-methyl-5'-(2-(methylthio)ethyl)-2-oxospiro[indoline-3,2'-pyrrolidine]-3'-carboxamide is C22H24FN3O2S.
The molecular weight of (2'R,3'S,5'R)-N-(4-fluorophenyl)-5-methyl-5'-(2-(methylthio)ethyl)-2-oxospiro[indoline-3,2'-pyrrolidine]-3'-carboxamide is 413.15732 g/mol.
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