N-benzyl-4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)butanamide
TL;DR: N-benzyl-4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)butanamide (CAS 1008972-16-4) is a chemical compound with molecular formula C20H24N2O3S2 and molecular weight 404.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide
Also Known As: N-benzyl-4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)butanamide, N-benzyl-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide
| Molecular Formula | C20H24N2O3S2 |
|---|---|
| Molecular Weight | 404.12 g/mol |
| LogP | 3.0148 |
| Topological Polar Surface Area | 75.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 404.12283 |
| Heavy Atoms | 27 |
| Complexity | 838.0452 |
Chemical Identifiers
| CAS Number | 1008972-16-4 |
|---|---|
| SMILES | CSCCC(C(=O)NCC1=CC=CC=C1)NS(=O)(=O)/C=C/C2=CC=CC=C2 |
Product Overview
N-benzyl-4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)butanamide (CAS 1008972-16-4), with molecular formula C20H24N2O3S2 and molecular weight 404.12 g/mol. IUPAC: N-benzyl-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide.
Chemical Property Profile of N-benzyl-4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)butanamide
Property Insights of N-benzyl-4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)butanamide
The XLogP value of 3.0148 indicates that N-benzyl-4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)butanamide. Following Lipinski's Rule of Five, N-benzyl-4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)butanamide has 2 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-benzyl-4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)butanamide?
The CAS number of N-benzyl-4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)butanamide is 1008972-16-4.
What is the molecular formula of N-benzyl-4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)butanamide?
The molecular formula of N-benzyl-4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)butanamide is C20H24N2O3S2.
What is the molecular weight of N-benzyl-4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)butanamide?
The molecular weight of N-benzyl-4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)butanamide is 404.12 g/mol.
Where can I buy N-benzyl-4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)butanamide?
You can request a quote for N-benzyl-4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)butanamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.