TL;DR: N-(3-bicyclo[2.2.1]heptanyl)-2-[(4-bromophenyl)methylsulfanyl]acetamide (CAS 1005164-26-0) is a chemical compound with molecular formula C16H20BrNOS and molecular weight 353.0449 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-bromophenyl)methylsulfanyl]acetamide
Also Known As: N-(bicyclo[2.2.1]hept-2-yl)-2-[(4-bromobenzyl)sulfanyl]acetamide, N-(3-bicyclo[2.2.1]heptanyl)-2-[(4-bromophenyl)methylsulfanyl]acetamide, N-{BICYCLO[2.2.1]HEPTAN-2-YL}-2-{[(4-BROMOPHENYL)METHYL]SULFANYL}ACETAMIDE
| Molecular Formula | C16H20BrNOS |
| Molecular Weight | 353.0449 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 353.0449 Da |
| Heavy Atoms | 20 |
| Complexity | 343.0 |
| SMILES | C1CC2CC1CC2NC(=O)CSCC3=CC=C(C=C3)Br |
| InChIKey | NGFCCAYNRJDUOK-UHFFFAOYSA-N |
The XLogP value of 4.1 indicates that N-(3-bicyclo[2.2.1]heptanyl)-2-[(4-bromophenyl)methylsulfanyl]acetamide 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-bromophenyl)methylsulfanyl]acetamide 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-bromophenyl)methylsulfanyl]acetamide 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-bromophenyl)methylsulfanyl]acetamide is 1005164-26-0.
The molecular formula of N-(3-bicyclo[2.2.1]heptanyl)-2-[(4-bromophenyl)methylsulfanyl]acetamide is C16H20BrNOS.
The molecular weight of N-(3-bicyclo[2.2.1]heptanyl)-2-[(4-bromophenyl)methylsulfanyl]acetamide is 353.0449 g/mol.
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