TL;DR: N-(3-bicyclo[2.2.1]heptanyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)propanamide (CAS 1093959-55-7) is a chemical compound with molecular formula C19H28N2O3S and molecular weight 364.18207 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-(3,5-dimethyl-N-methylsulfonylanilino)propanamide
Also Known As: N-(3-bicyclo[2.2.1]heptanyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)propanamide, N-bicyclo[2.2.1]hept-2-yl-N~2~-(3,5-dimethylphenyl)-N~2~-(methylsulfonyl)alaninamide
| Molecular Formula | C19H28N2O3S |
| Molecular Weight | 364.18207 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 364.18207 Da |
| Heavy Atoms | 25 |
| Complexity | 590.0 |
| SMILES | CC1=CC(=CC(=C1)N(C(C)C(=O)NC2CC3CCC2C3)S(=O)(=O)C)C |
| InChIKey | IWVAHYRXZRKEHN-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that N-(3-bicyclo[2.2.1]heptanyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-bicyclo[2.2.1]heptanyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)propanamide. Following Lipinski's Rule of Five, N-(3-bicyclo[2.2.1]heptanyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)propanamide has 1 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-(3-bicyclo[2.2.1]heptanyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)propanamide is 1093959-55-7.
The molecular formula of N-(3-bicyclo[2.2.1]heptanyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)propanamide is C19H28N2O3S.
The molecular weight of N-(3-bicyclo[2.2.1]heptanyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)propanamide is 364.18207 g/mol.
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