![2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[(2-methylphenyl)methyl]acetamide structure](/static/products/5739/5739-66-2.webp)
2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[(2-methylphenyl)methyl]acetamide
TL;DR: 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[(2-methylphenyl)methyl]acetamide (CAS 5739-66-2) is a chemical compound with molecular formula C22H21N3O5S and molecular weight 439.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[(2-methylphenyl)methyl]acetamide
Also Known As: BAS 00845047, BIM-0011798.P001, 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[(2-methylphenyl)methyl]acetamide, N~1~-(2-methylbenzyl)-N~2~-(3-nitrophenyl)-N~2~-(phenylsulfonyl)glycinamide, 2-[Benzenesulfonyl-(3-nitro-phenyl)-amino]-N-(2-methyl-benzyl)-acetamide
| Molecular Formula | C22H21N3O5S |
|---|---|
| Molecular Weight | 439.12 g/mol |
| LogP | 3.41492 |
| Topological Polar Surface Area | 109.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 439.12018 |
| Heavy Atoms | 31 |
| Complexity | 1196.533 |
Chemical Identifiers
| CAS Number | 5739-66-2 |
|---|---|
| SMILES | CC1=CC=CC=C1CNC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3 |
Product Overview
2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[(2-methylphenyl)methyl]acetamide (CAS 5739-66-2), with molecular formula C22H21N3O5S and molecular weight 439.12 g/mol. IUPAC: 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[(2-methylphenyl)methyl]acetamide.
Chemical Property Profile of 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[(2-methylphenyl)methyl]acetamide
Property Insights of 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[(2-methylphenyl)methyl]acetamide
The XLogP value of 3.41492 indicates that 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[(2-methylphenyl)methyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[(2-methylphenyl)methyl]acetamide. Following Lipinski's Rule of Five, 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[(2-methylphenyl)methyl]acetamide has 1 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 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[(2-methylphenyl)methyl]acetamide?
The CAS number of 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[(2-methylphenyl)methyl]acetamide is 5739-66-2.
What is the molecular formula of 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[(2-methylphenyl)methyl]acetamide?
The molecular formula of 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[(2-methylphenyl)methyl]acetamide is C22H21N3O5S.
What is the molecular weight of 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[(2-methylphenyl)methyl]acetamide?
The molecular weight of 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[(2-methylphenyl)methyl]acetamide is 439.12 g/mol.
Where can I buy 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[(2-methylphenyl)methyl]acetamide?
You can request a quote for 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[(2-methylphenyl)methyl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[(2-methylphenyl)methyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[(2-methylphenyl)methyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.