N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)-4-nitrobenzamide
TL;DR: N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)-4-nitrobenzamide (CAS 620563-02-2) is a chemical compound with molecular formula C20H22N2O5S and molecular weight 402.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,1-dioxothiolan-3-yl)-N-[(4-ethylphenyl)methyl]-4-nitrobenzamide
Also Known As: N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)-4-nitrobenzamide, N-(1,1-dioxothiolan-3-yl)-N-[(4-ethylphenyl)methyl]-4-nitrobenzamide
| Molecular Formula | C20H22N2O5S |
|---|---|
| Molecular Weight | 402.12 g/mol |
| LogP | 2.9867 |
| Topological Polar Surface Area | 97.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.12494 |
| Heavy Atoms | 28 |
| Complexity | 968.6606 |
Chemical Identifiers
| CAS Number | 620563-02-2 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)-4-nitrobenzamide (CAS 620563-02-2), with molecular formula C20H22N2O5S and molecular weight 402.12 g/mol. IUPAC: N-(1,1-dioxothiolan-3-yl)-N-[(4-ethylphenyl)methyl]-4-nitrobenzamide.
Chemical Property Profile of N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)-4-nitrobenzamide
Property Insights of N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)-4-nitrobenzamide
The XLogP value of 2.9867 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)-4-nitrobenzamide. The TPSA of 97.59 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)-4-nitrobenzamide. Following Lipinski's Rule of Five, N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)-4-nitrobenzamide 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)-N-(4-ethylbenzyl)-4-nitrobenzamide?
The CAS number of N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)-4-nitrobenzamide is 620563-02-2.
What is the molecular formula of N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)-4-nitrobenzamide?
The molecular formula of N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)-4-nitrobenzamide is C20H22N2O5S.
What is the molecular weight of N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)-4-nitrobenzamide?
The molecular weight of N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)-4-nitrobenzamide is 402.12 g/mol.
Where can I buy N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)-4-nitrobenzamide?
You can request a quote for N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)-4-nitrobenzamide 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)-N-(4-ethylbenzyl)-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.