TL;DR: N-(2-((2-(4-bromophenyl)-1H-indol-3-yl)thio)ethyl)-2-phenoxypropanamide (CAS 1022862-03-8) is a chemical compound with molecular formula C25H23BrN2O2S and molecular weight 494.06635 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-2-phenoxypropanamide
Also Known As: N-(2-((2-(4-bromophenyl)-1H-indol-3-yl)thio)ethyl)-2-phenoxypropanamide, N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-2-phenoxypropanamide, F0582-0674, N-(2-{[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl}ethyl)-2-phenoxypropanamide, N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-2-phenoxy-propanamide
| Molecular Formula | C25H23BrN2O2S |
| Molecular Weight | 494.06635 g/mol |
| XLogP | 6.3 |
| Topological Polar Surface Area (TPSA) | 79.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 494.06635 Da |
| Heavy Atoms | 31 |
| Complexity | 566.0 |
| SMILES | CC(C(=O)NCCSC1=C(NC2=CC=CC=C21)C3=CC=C(C=C3)Br)OC4=CC=CC=C4 |
| InChIKey | HACSHAQTRXMJFI-UHFFFAOYSA-N |
The XLogP value of 6.3 indicates that N-(2-((2-(4-bromophenyl)-1H-indol-3-yl)thio)ethyl)-2-phenoxypropanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-((2-(4-bromophenyl)-1H-indol-3-yl)thio)ethyl)-2-phenoxypropanamide. Following Lipinski's Rule of Five, N-(2-((2-(4-bromophenyl)-1H-indol-3-yl)thio)ethyl)-2-phenoxypropanamide has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-(2-((2-(4-bromophenyl)-1H-indol-3-yl)thio)ethyl)-2-phenoxypropanamide is 1022862-03-8.
The molecular formula of N-(2-((2-(4-bromophenyl)-1H-indol-3-yl)thio)ethyl)-2-phenoxypropanamide is C25H23BrN2O2S.
The molecular weight of N-(2-((2-(4-bromophenyl)-1H-indol-3-yl)thio)ethyl)-2-phenoxypropanamide is 494.06635 g/mol.
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