N-(2-((2-cyanoethyl)thio)phenyl)-4-(pyrrolidin-1-ylsulfonyl)benzamide
TL;DR: N-(2-((2-cyanoethyl)thio)phenyl)-4-(pyrrolidin-1-ylsulfonyl)benzamide (CAS 397280-49-8) is a chemical compound with molecular formula C20H21N3O3S2 and molecular weight 415.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(2-cyanoethylsulfanyl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
Also Known As: N-(2-((2-cyanoethyl)thio)phenyl)-4-(pyrrolidin-1-ylsulfonyl)benzamide, N-{2-[(2-cyanoethyl)sulfanyl]phenyl}-4-(pyrrolidine-1-sulfonyl)benzamide, N-[2-(2-cyanoethylsulfanyl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide, N-{2-[(2-cyanoethyl)thio]phenyl}-4-(pyrrolidin-1-ylsulfonyl)benzamide, p-[N-o-(2-cyanoethylthio)phenylcarbamoyl]phenyl(oxo)-1-pyrrolidinyl-lambda-sulfaniumolate
| Molecular Formula | C20H21N3O3S2 |
|---|---|
| Molecular Weight | 415.10 g/mol |
| LogP | 3.72918 |
| Topological Polar Surface Area | 90.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 415.10245 |
| Heavy Atoms | 28 |
| Complexity | 976.5007 |
Chemical Identifiers
| CAS Number | 397280-49-8 |
|---|---|
| SMILES | C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3SCCC#N |
Product Overview
N-(2-((2-cyanoethyl)thio)phenyl)-4-(pyrrolidin-1-ylsulfonyl)benzamide (CAS 397280-49-8), with molecular formula C20H21N3O3S2 and molecular weight 415.10 g/mol. IUPAC: N-[2-(2-cyanoethylsulfanyl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide.
Chemical Property Profile of N-(2-((2-cyanoethyl)thio)phenyl)-4-(pyrrolidin-1-ylsulfonyl)benzamide
Property Insights of N-(2-((2-cyanoethyl)thio)phenyl)-4-(pyrrolidin-1-ylsulfonyl)benzamide
The XLogP value of 3.72918 indicates that N-(2-((2-cyanoethyl)thio)phenyl)-4-(pyrrolidin-1-ylsulfonyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-((2-cyanoethyl)thio)phenyl)-4-(pyrrolidin-1-ylsulfonyl)benzamide. Following Lipinski's Rule of Five, N-(2-((2-cyanoethyl)thio)phenyl)-4-(pyrrolidin-1-ylsulfonyl)benzamide 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 N-(2-((2-cyanoethyl)thio)phenyl)-4-(pyrrolidin-1-ylsulfonyl)benzamide?
The CAS number of N-(2-((2-cyanoethyl)thio)phenyl)-4-(pyrrolidin-1-ylsulfonyl)benzamide is 397280-49-8.
What is the molecular formula of N-(2-((2-cyanoethyl)thio)phenyl)-4-(pyrrolidin-1-ylsulfonyl)benzamide?
The molecular formula of N-(2-((2-cyanoethyl)thio)phenyl)-4-(pyrrolidin-1-ylsulfonyl)benzamide is C20H21N3O3S2.
What is the molecular weight of N-(2-((2-cyanoethyl)thio)phenyl)-4-(pyrrolidin-1-ylsulfonyl)benzamide?
The molecular weight of N-(2-((2-cyanoethyl)thio)phenyl)-4-(pyrrolidin-1-ylsulfonyl)benzamide is 415.10 g/mol.
Where can I buy N-(2-((2-cyanoethyl)thio)phenyl)-4-(pyrrolidin-1-ylsulfonyl)benzamide?
You can request a quote for N-(2-((2-cyanoethyl)thio)phenyl)-4-(pyrrolidin-1-ylsulfonyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-((2-cyanoethyl)thio)phenyl)-4-(pyrrolidin-1-ylsulfonyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-((2-cyanoethyl)thio)phenyl)-4-(pyrrolidin-1-ylsulfonyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.