![N-{2-[(4-bromobenzyl)sulfanyl]ethyl}-N~2~-(4-methylphenyl)-N~2~-[(4-methylphenyl)sulfonyl]glycinamide structure](/static/products/5873/5873-99-4.webp)
N-{2-[(4-bromobenzyl)sulfanyl]ethyl}-N~2~-(4-methylphenyl)-N~2~-[(4-methylphenyl)sulfonyl]glycinamide
TL;DR: N-{2-[(4-bromobenzyl)sulfanyl]ethyl}-N~2~-(4-methylphenyl)-N~2~-[(4-methylphenyl)sulfonyl]glycinamide (CAS 5873-99-4) is a chemical compound with molecular formula C25H27BrN2O3S2 and molecular weight 546.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[(4-bromophenyl)methylsulfanyl]ethyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
Also Known As: N-{2-[(4-bromobenzyl)sulfanyl]ethyl}-N~2~-(4-methylphenyl)-N~2~-[(4-methylphenyl)sulfonyl]glycinamide, N-[2-[(4-bromophenyl)methylsulfanyl]ethyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide, N-(2-{[(4-Bromophenyl)methyl]sulfanyl}ethyl)-N~2~-(4-methylbenzene-1-sulfonyl)-N~2~-(4-methylphenyl)glycinamide, N~1~-{2-[(4-bromobenzyl)thio]ethyl}-N~2~-(4-methylphenyl)-N~2~-[(4-methylphenyl)sulfonyl]glycinamide
| Molecular Formula | C25H27BrN2O3S2 |
|---|---|
| Molecular Weight | 546.06 g/mol |
| LogP | 5.31084 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 546.06464 |
| Heavy Atoms | 33 |
| Complexity | 1163.7837 |
Chemical Identifiers
| CAS Number | 5873-99-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N(CC(=O)NCCSCC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=C(C=C3)C |
Product Overview
N-{2-[(4-bromobenzyl)sulfanyl]ethyl}-N~2~-(4-methylphenyl)-N~2~-[(4-methylphenyl)sulfonyl]glycinamide (CAS 5873-99-4), with molecular formula C25H27BrN2O3S2 and molecular weight 546.06 g/mol. IUPAC: N-[2-[(4-bromophenyl)methylsulfanyl]ethyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide.
Chemical Property Profile of N-{2-[(4-bromobenzyl)sulfanyl]ethyl}-N~2~-(4-methylphenyl)-N~2~-[(4-methylphenyl)sulfonyl]glycinamide
Property Insights of N-{2-[(4-bromobenzyl)sulfanyl]ethyl}-N~2~-(4-methylphenyl)-N~2~-[(4-methylphenyl)sulfonyl]glycinamide
The XLogP value of 5.31084 indicates that N-{2-[(4-bromobenzyl)sulfanyl]ethyl}-N~2~-(4-methylphenyl)-N~2~-[(4-methylphenyl)sulfonyl]glycinamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{2-[(4-bromobenzyl)sulfanyl]ethyl}-N~2~-(4-methylphenyl)-N~2~-[(4-methylphenyl)sulfonyl]glycinamide. Following Lipinski's Rule of Five, N-{2-[(4-bromobenzyl)sulfanyl]ethyl}-N~2~-(4-methylphenyl)-N~2~-[(4-methylphenyl)sulfonyl]glycinamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-{2-[(4-bromobenzyl)sulfanyl]ethyl}-N~2~-(4-methylphenyl)-N~2~-[(4-methylphenyl)sulfonyl]glycinamide?
The CAS number of N-{2-[(4-bromobenzyl)sulfanyl]ethyl}-N~2~-(4-methylphenyl)-N~2~-[(4-methylphenyl)sulfonyl]glycinamide is 5873-99-4.
What is the molecular formula of N-{2-[(4-bromobenzyl)sulfanyl]ethyl}-N~2~-(4-methylphenyl)-N~2~-[(4-methylphenyl)sulfonyl]glycinamide?
The molecular formula of N-{2-[(4-bromobenzyl)sulfanyl]ethyl}-N~2~-(4-methylphenyl)-N~2~-[(4-methylphenyl)sulfonyl]glycinamide is C25H27BrN2O3S2.
What is the molecular weight of N-{2-[(4-bromobenzyl)sulfanyl]ethyl}-N~2~-(4-methylphenyl)-N~2~-[(4-methylphenyl)sulfonyl]glycinamide?
The molecular weight of N-{2-[(4-bromobenzyl)sulfanyl]ethyl}-N~2~-(4-methylphenyl)-N~2~-[(4-methylphenyl)sulfonyl]glycinamide is 546.06 g/mol.
Where can I buy N-{2-[(4-bromobenzyl)sulfanyl]ethyl}-N~2~-(4-methylphenyl)-N~2~-[(4-methylphenyl)sulfonyl]glycinamide?
You can request a quote for N-{2-[(4-bromobenzyl)sulfanyl]ethyl}-N~2~-(4-methylphenyl)-N~2~-[(4-methylphenyl)sulfonyl]glycinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{2-[(4-bromobenzyl)sulfanyl]ethyl}-N~2~-(4-methylphenyl)-N~2~-[(4-methylphenyl)sulfonyl]glycinamide?
Yes, KEHONG BIO provides custom synthesis services for N-{2-[(4-bromobenzyl)sulfanyl]ethyl}-N~2~-(4-methylphenyl)-N~2~-[(4-methylphenyl)sulfonyl]glycinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.