TL;DR: N-[(5-iodopyridin-2-yl)carbamothioyl]-2-[4-(propan-2-yl)phenoxy]acetamide (CAS 532417-94-0) is a chemical compound with molecular formula C17H18IN3O2S and molecular weight 455.01645 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(5-iodo-2-pyridinyl)carbamothioyl]-2-(4-propan-2-ylphenoxy)acetamide
Also Known As: N-((5-iodopyridin-2-yl)carbamothioyl)-2-(4-isopropylphenoxy)acetamide, N-[(5-iodopyridin-2-yl)carbamothioyl]-2-(4-propan-2-ylphenoxy)acetamide, N-[(5-iodopyridin-2-yl)carbamothioyl]-2-[4-(propan-2-yl)phenoxy]acetamide, N-[(5-iodopyridin-2-yl)thiocarbamoyl]-2-(4-propan-2-ylphenoxy)acetamide, N-{[(5-iodo(2-pyridyl))amino]thioxomethyl}-2-[4-(methylethyl)phenoxy]acetamide
| Molecular Formula | C17H18IN3O2S |
| Molecular Weight | 455.01645 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 95.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.01645 Da |
| Heavy Atoms | 24 |
| Complexity | 428.0 |
| SMILES | CC(C)C1=CC=C(C=C1)OCC(=O)NC(=S)NC2=NC=C(C=C2)I |
| InChIKey | RZKLTXBSDWOEHX-UHFFFAOYSA-N |
The XLogP value of 4.6 indicates that N-[(5-iodopyridin-2-yl)carbamothioyl]-2-[4-(propan-2-yl)phenoxy]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(5-iodopyridin-2-yl)carbamothioyl]-2-[4-(propan-2-yl)phenoxy]acetamide. Following Lipinski's Rule of Five, N-[(5-iodopyridin-2-yl)carbamothioyl]-2-[4-(propan-2-yl)phenoxy]acetamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-[(5-iodopyridin-2-yl)carbamothioyl]-2-[4-(propan-2-yl)phenoxy]acetamide is 532417-94-0.
The molecular formula of N-[(5-iodopyridin-2-yl)carbamothioyl]-2-[4-(propan-2-yl)phenoxy]acetamide is C17H18IN3O2S.
The molecular weight of N-[(5-iodopyridin-2-yl)carbamothioyl]-2-[4-(propan-2-yl)phenoxy]acetamide is 455.01645 g/mol.
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