![N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-methoxybenzamide structure](/static/products/5870/587004-97-5.webp)
N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-methoxybenzamide
TL;DR: N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-methoxybenzamide (CAS 587004-97-5) is a chemical compound with molecular formula C21H26N2O4S and molecular weight 402.16 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-methoxybenzamide
Also Known As: N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-methoxybenzamide, N-(4-(dimethylamino)benzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-methoxybenzamide, N-[(4-dimethylaminophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-methoxybenzamide
| Molecular Formula | C21H26N2O4S |
|---|---|
| Molecular Weight | 402.16 g/mol |
| LogP | 2.5907 |
| Topological Polar Surface Area | 66.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.16132 |
| Heavy Atoms | 28 |
| Complexity | 939.1329 |
Chemical Identifiers
| CAS Number | 587004-97-5 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=CC=CC=C3OC |
Product Overview
N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-methoxybenzamide (CAS 587004-97-5), with molecular formula C21H26N2O4S and molecular weight 402.16 g/mol. IUPAC: N-[[4-(dimethylamino)phenyl]methyl]-N-(1,1-dioxothiolan-3-yl)-2-methoxybenzamide.
Chemical Property Profile of N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-methoxybenzamide
Property Insights of N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-methoxybenzamide
The XLogP value of 2.5907 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-methoxybenzamide. The TPSA of 66.92 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-methoxybenzamide. Following Lipinski's Rule of Five, N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-methoxybenzamide 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-methoxybenzamide?
The CAS number of N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-methoxybenzamide is 587004-97-5.
What is the molecular formula of N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-methoxybenzamide?
The molecular formula of N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-methoxybenzamide is C21H26N2O4S.
What is the molecular weight of N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-methoxybenzamide?
The molecular weight of N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-methoxybenzamide is 402.16 g/mol.
Where can I buy N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-methoxybenzamide?
You can request a quote for N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-methoxybenzamide 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-methoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-methoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.