![N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methylbenzamide structure](/static/products/5776/577698-95-4.webp)
N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methylbenzamide
TL;DR: N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methylbenzamide (CAS 577698-95-4) is a chemical compound with molecular formula C21H26N2O3S and molecular weight 386.17 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)-3-methylbenzamide
Also Known As: N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methylbenzamide, N-(4-(dimethylamino)benzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methylbenzamide, N-[(4-dimethylaminophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3-methylbenzamide
| Molecular Formula | C21H26N2O3S |
|---|---|
| Molecular Weight | 386.17 g/mol |
| LogP | 2.89052 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.1664 |
| Heavy Atoms | 27 |
| Complexity | 920.6978 |
Chemical Identifiers
| CAS Number | 577698-95-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)N(CC2=CC=C(C=C2)N(C)C)C3CCS(=O)(=O)C3 |
Product Overview
N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methylbenzamide (CAS 577698-95-4), with molecular formula C21H26N2O3S and molecular weight 386.17 g/mol. IUPAC: N-[[4-(dimethylamino)phenyl]methyl]-N-(1,1-dioxothiolan-3-yl)-3-methylbenzamide.
Chemical Property Profile of N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methylbenzamide
Property Insights of N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methylbenzamide
The XLogP value of 2.89052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methylbenzamide. With a topological polar surface area (TPSA) of 57.69 Ų, N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methylbenzamide has 0 hydrogen bond donor(s) and 4 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)-3-methylbenzamide?
The CAS number of N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methylbenzamide is 577698-95-4.
What is the molecular formula of N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methylbenzamide?
The molecular formula of N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methylbenzamide is C21H26N2O3S.
What is the molecular weight of N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methylbenzamide?
The molecular weight of N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methylbenzamide is 386.17 g/mol.
Where can I buy N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methylbenzamide?
You can request a quote for N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methylbenzamide 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)-3-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.