TL;DR: 4-chloro-3-(1,1-dioxido-1,2-thiazinan-2-yl)-N-(2-methoxyphenethyl)benzamide (CAS 1011654-09-3) is a chemical compound with molecular formula C20H23ClN2O4S and molecular weight 422.10672 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
Also Known As: 4-chloro-3-(1,1-dioxido-1,2-thiazinan-2-yl)-N-(2-methoxyphenethyl)benzamide, 4-chloro-3-(1,1-dioxido-1,2-thiazinan-2-yl)-N-[2-(2-methoxyphenyl)ethyl]benzamide, 4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
| Molecular Formula | C20H23ClN2O4S |
| Molecular Weight | 422.10672 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 84.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.10672 Da |
| Heavy Atoms | 28 |
| Complexity | 624.0 |
| SMILES | COC1=CC=CC=C1CCNC(=O)C2=CC(=C(C=C2)Cl)N3CCCCS3(=O)=O |
| InChIKey | DVVAUOPNEZUAHN-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that 4-chloro-3-(1,1-dioxido-1,2-thiazinan-2-yl)-N-(2-methoxyphenethyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-3-(1,1-dioxido-1,2-thiazinan-2-yl)-N-(2-methoxyphenethyl)benzamide. Following Lipinski's Rule of Five, 4-chloro-3-(1,1-dioxido-1,2-thiazinan-2-yl)-N-(2-methoxyphenethyl)benzamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-chloro-3-(1,1-dioxido-1,2-thiazinan-2-yl)-N-(2-methoxyphenethyl)benzamide is 1011654-09-3.
The molecular formula of 4-chloro-3-(1,1-dioxido-1,2-thiazinan-2-yl)-N-(2-methoxyphenethyl)benzamide is C20H23ClN2O4S.
The molecular weight of 4-chloro-3-(1,1-dioxido-1,2-thiazinan-2-yl)-N-(2-methoxyphenethyl)benzamide is 422.10672 g/mol.
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