N-(2-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methyl-1-benzofuran-2-carboxamide
TL;DR: N-(2-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methyl-1-benzofuran-2-carboxamide (CAS 573944-87-3) is a chemical compound with molecular formula C21H20ClNO4S and molecular weight 417.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3-methyl-1-benzofuran-2-carboxamide
Also Known As: N-(2-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methyl-1-benzofuran-2-carboxamide, N-(2-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methylbenzofuran-2-carboxamide, N-[(2-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3-methyl-1-benzofuran-2-carboxamide, N-[(2-CHLOROPHENYL)METHYL]-N-(11-DIOXO-1LAMBDA6-THIOLAN-3-YL)-3-METHYL-1-BENZOFURAN-2-CARBOXAMIDE
| Molecular Formula | C21H20ClNO4S |
|---|---|
| Molecular Weight | 417.08 g/mol |
| LogP | 4.22412 |
| Topological Polar Surface Area | 67.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.08017 |
| Heavy Atoms | 28 |
| Complexity | 1152.1769 |
Chemical Identifiers
| CAS Number | 573944-87-3 |
|---|---|
| SMILES | CC1=C(OC2=CC=CC=C12)C(=O)N(CC3=CC=CC=C3Cl)C4CCS(=O)(=O)C4 |
Product Overview
N-(2-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methyl-1-benzofuran-2-carboxamide (CAS 573944-87-3), with molecular formula C21H20ClNO4S and molecular weight 417.08 g/mol. IUPAC: N-[(2-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3-methyl-1-benzofuran-2-carboxamide.
Chemical Property Profile of N-(2-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methyl-1-benzofuran-2-carboxamide
Property Insights of N-(2-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methyl-1-benzofuran-2-carboxamide
The XLogP value of 4.22412 indicates that N-(2-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methyl-1-benzofuran-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.59 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methyl-1-benzofuran-2-carboxamide. Following Lipinski's Rule of Five, N-(2-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methyl-1-benzofuran-2-carboxamide 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-(2-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methyl-1-benzofuran-2-carboxamide?
The CAS number of N-(2-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methyl-1-benzofuran-2-carboxamide is 573944-87-3.
What is the molecular formula of N-(2-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methyl-1-benzofuran-2-carboxamide?
The molecular formula of N-(2-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methyl-1-benzofuran-2-carboxamide is C21H20ClNO4S.
What is the molecular weight of N-(2-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methyl-1-benzofuran-2-carboxamide?
The molecular weight of N-(2-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methyl-1-benzofuran-2-carboxamide is 417.08 g/mol.
Where can I buy N-(2-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methyl-1-benzofuran-2-carboxamide?
You can request a quote for N-(2-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methyl-1-benzofuran-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methyl-1-benzofuran-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methyl-1-benzofuran-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.