TL;DR: N-(3-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)sulfanylpropanamide (CAS 1212121-35-1) is a chemical compound with molecular formula C17H23NOS and molecular weight 289.15002 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)sulfanylpropanamide
Also Known As: AO-081/42097132, N-(3-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)sulfanylpropanamide, N-bicyclo[2.2.1]hept-2-yl-2-[(4-methylphenyl)sulfanyl]propanamide, N-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)sulfanylpropanamide, N-(bicyclo[2.2.1]hept-2-yl)-2-[(4-methylphenyl)sulfanyl]propanamide
| Molecular Formula | C17H23NOS |
| Molecular Weight | 289.15002 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.15002 Da |
| Heavy Atoms | 20 |
| Complexity | 351.0 |
| SMILES | CC1=CC=C(C=C1)SC(C)C(=O)NC2CC3CCC2C3 |
| InChIKey | HLLMKAGHNZRMKS-UHFFFAOYSA-N |
The XLogP value of 4.3 indicates that N-(3-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)sulfanylpropanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, N-(3-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)sulfanylpropanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)sulfanylpropanamide has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-(3-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)sulfanylpropanamide is 1212121-35-1.
The molecular formula of N-(3-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)sulfanylpropanamide is C17H23NOS.
The molecular weight of N-(3-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)sulfanylpropanamide is 289.15002 g/mol.
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