TL;DR: N-(2-ethylphenyl)-2-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (CAS 861117-16-0) is a chemical compound with molecular formula C26H26N4O2S and molecular weight 458.17764 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-ethylphenyl)-2-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(2-ethylphenyl)-2-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(2-ethylphenyl)-2-{[5-(4-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(2-ethylphenyl)-2-((5-(4-methoxyphenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(2-ethylphenyl)-2-[5-(4-methoxyphenyl)-4-(4-methylphenyl)(1,2,4-triazol-3-yl thio)]acetamide
| Molecular Formula | C26H26N4O2S |
| Molecular Weight | 458.17764 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 94.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 458.17764 Da |
| Heavy Atoms | 33 |
| Complexity | 607.0 |
| SMILES | CCC1=CC=CC=C1NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)C)C4=CC=C(C=C4)OC |
| InChIKey | JKXPQSYLHNDUNM-UHFFFAOYSA-N |
The XLogP value of 5.6 indicates that N-(2-ethylphenyl)-2-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-ethylphenyl)-2-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide. Following Lipinski's Rule of Five, N-(2-ethylphenyl)-2-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-(2-ethylphenyl)-2-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is 861117-16-0.
The molecular formula of N-(2-ethylphenyl)-2-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is C26H26N4O2S.
The molecular weight of N-(2-ethylphenyl)-2-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is 458.17764 g/mol.
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