N-(4-(dimethylamino)benzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(o-tolyloxy)acetamide
TL;DR: N-(4-(dimethylamino)benzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(o-tolyloxy)acetamide (CAS 577990-15-9) is a chemical compound with molecular formula C22H28N2O4S and molecular weight 416.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(dimethylamino)phenyl]methyl]-N-(1,1-dioxothiolan-3-yl)-2-(2-methylphenoxy)acetamide
Also Known As: N-(4-(dimethylamino)benzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(o-tolyloxy)acetamide, N-[(4-dimethylaminophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-(2-methylphenoxy)acetamide, N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(2-methylphenoxy)acetamide
| Molecular Formula | C22H28N2O4S |
|---|---|
| Molecular Weight | 416.18 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.17697 |
| Heavy Atoms | 29 |
| Complexity | 638.0 |
Chemical Identifiers
| CAS Number | 577990-15-9 |
|---|---|
| SMILES | CC1=CC=CC=C1OCC(=O)N(CC2=CC=C(C=C2)N(C)C)C3CCS(=O)(=O)C3 |
| InChIKey | HGLFRFOGEYXAQA-UHFFFAOYSA-N |
Product Overview
N-(4-(dimethylamino)benzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(o-tolyloxy)acetamide (CAS 577990-15-9), with molecular formula C22H28N2O4S and molecular weight 416.18 g/mol. IUPAC: N-[[4-(dimethylamino)phenyl]methyl]-N-(1,1-dioxothiolan-3-yl)-2-(2-methylphenoxy)acetamide.
Chemical Property Profile of N-(4-(dimethylamino)benzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(o-tolyloxy)acetamide
Property Insights of N-(4-(dimethylamino)benzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(o-tolyloxy)acetamide
The XLogP value of 3.0 indicates that N-(4-(dimethylamino)benzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(o-tolyloxy)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-(dimethylamino)benzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(o-tolyloxy)acetamide. Following Lipinski's Rule of Five, N-(4-(dimethylamino)benzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(o-tolyloxy)acetamide has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(4-(dimethylamino)benzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(o-tolyloxy)acetamide?
The CAS number of N-(4-(dimethylamino)benzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(o-tolyloxy)acetamide is 577990-15-9.
What is the molecular formula of N-(4-(dimethylamino)benzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(o-tolyloxy)acetamide?
The molecular formula of N-(4-(dimethylamino)benzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(o-tolyloxy)acetamide is C22H28N2O4S.
What is the molecular weight of N-(4-(dimethylamino)benzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(o-tolyloxy)acetamide?
The molecular weight of N-(4-(dimethylamino)benzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(o-tolyloxy)acetamide is 416.18 g/mol.
Where can I buy N-(4-(dimethylamino)benzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(o-tolyloxy)acetamide?
You can request a quote for N-(4-(dimethylamino)benzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(o-tolyloxy)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-(dimethylamino)benzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(o-tolyloxy)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-(dimethylamino)benzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(o-tolyloxy)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.