N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-ethoxy-N-(4-fluorobenzyl)benzamide
TL;DR: N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-ethoxy-N-(4-fluorobenzyl)benzamide (CAS 838880-59-4) is a chemical compound with molecular formula C20H22FNO4S and molecular weight 391.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,1-dioxothiolan-3-yl)-3-ethoxy-N-[(4-fluorophenyl)methyl]benzamide
Also Known As: N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-ethoxy-N-(4-fluorobenzyl)benzamide, N-(1,1-dioxothiolan-3-yl)-3-ethoxy-N-[(4-fluorophenyl)methyl]benzamide, N-(11-DIOXO-1LAMBDA6-THIOLAN-3-YL)-3-ETHOXY-N-[(4-FLUOROPHENYL)METHYL]BENZAMIDE
| Molecular Formula | C20H22FNO4S |
|---|---|
| Molecular Weight | 391.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 391.12537 |
| Heavy Atoms | 27 |
| Complexity | 598.0 |
Chemical Identifiers
| CAS Number | 838880-59-4 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1)C(=O)N(CC2=CC=C(C=C2)F)C3CCS(=O)(=O)C3 |
| InChIKey | RZMPMVKWAJYJTA-UHFFFAOYSA-N |
Product Overview
N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-ethoxy-N-(4-fluorobenzyl)benzamide (CAS 838880-59-4), with molecular formula C20H22FNO4S and molecular weight 391.13 g/mol. IUPAC: N-(1,1-dioxothiolan-3-yl)-3-ethoxy-N-[(4-fluorophenyl)methyl]benzamide.
Chemical Property Profile of N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-ethoxy-N-(4-fluorobenzyl)benzamide
Property Insights of N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-ethoxy-N-(4-fluorobenzyl)benzamide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-ethoxy-N-(4-fluorobenzyl)benzamide. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-ethoxy-N-(4-fluorobenzyl)benzamide. Following Lipinski's Rule of Five, N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-ethoxy-N-(4-fluorobenzyl)benzamide 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-(1,1-dioxidotetrahydrothiophen-3-yl)-3-ethoxy-N-(4-fluorobenzyl)benzamide?
The CAS number of N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-ethoxy-N-(4-fluorobenzyl)benzamide is 838880-59-4.
What is the molecular formula of N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-ethoxy-N-(4-fluorobenzyl)benzamide?
The molecular formula of N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-ethoxy-N-(4-fluorobenzyl)benzamide is C20H22FNO4S.
What is the molecular weight of N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-ethoxy-N-(4-fluorobenzyl)benzamide?
The molecular weight of N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-ethoxy-N-(4-fluorobenzyl)benzamide is 391.13 g/mol.
Where can I buy N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-ethoxy-N-(4-fluorobenzyl)benzamide?
You can request a quote for N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-ethoxy-N-(4-fluorobenzyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-ethoxy-N-(4-fluorobenzyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-ethoxy-N-(4-fluorobenzyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.