N-(2-((2-cyanoethyl)thio)phenyl)-4-((2,6-dimethylmorpholino)sulfonyl)benzamide
TL;DR: N-(2-((2-cyanoethyl)thio)phenyl)-4-((2,6-dimethylmorpholino)sulfonyl)benzamide (CAS 477497-91-9) is a chemical compound with molecular formula C22H25N3O4S2 and molecular weight 459.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(2-cyanoethylsulfanyl)phenyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
Also Known As: F0806-0855, N-(2-((2-cyanoethyl)thio)phenyl)-4-((2,6-dimethylmorpholino)sulfonyl)benzamide, N-{2-[(2-cyanoethyl)sulfanyl]phenyl}-4-[(2,6-dimethylmorpholin-4-yl)sulfonyl]benzamide, N-[2-(2-cyanoethylsulfanyl)phenyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide, N-[2-(2-cyanoethylsulfanyl)phenyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-benzamide
| Molecular Formula | C22H25N3O4S2 |
|---|---|
| Molecular Weight | 459.13 g/mol |
| LogP | 3.74258 |
| Topological Polar Surface Area | 99.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 459.12866 |
| Heavy Atoms | 31 |
| Complexity | 1054.9088 |
Chemical Identifiers
| CAS Number | 477497-91-9 |
|---|---|
| SMILES | CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3SCCC#N |
Product Overview
N-(2-((2-cyanoethyl)thio)phenyl)-4-((2,6-dimethylmorpholino)sulfonyl)benzamide (CAS 477497-91-9), with molecular formula C22H25N3O4S2 and molecular weight 459.13 g/mol. IUPAC: N-[2-(2-cyanoethylsulfanyl)phenyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide.
Chemical Property Profile of N-(2-((2-cyanoethyl)thio)phenyl)-4-((2,6-dimethylmorpholino)sulfonyl)benzamide
Property Insights of N-(2-((2-cyanoethyl)thio)phenyl)-4-((2,6-dimethylmorpholino)sulfonyl)benzamide
The XLogP value of 3.74258 indicates that N-(2-((2-cyanoethyl)thio)phenyl)-4-((2,6-dimethylmorpholino)sulfonyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-((2-cyanoethyl)thio)phenyl)-4-((2,6-dimethylmorpholino)sulfonyl)benzamide. Following Lipinski's Rule of Five, N-(2-((2-cyanoethyl)thio)phenyl)-4-((2,6-dimethylmorpholino)sulfonyl)benzamide has 1 hydrogen bond donor(s) and 6 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-((2,6-dimethylmorpholino)sulfonyl)benzamide?
The CAS number of N-(2-((2-cyanoethyl)thio)phenyl)-4-((2,6-dimethylmorpholino)sulfonyl)benzamide is 477497-91-9.
What is the molecular formula of N-(2-((2-cyanoethyl)thio)phenyl)-4-((2,6-dimethylmorpholino)sulfonyl)benzamide?
The molecular formula of N-(2-((2-cyanoethyl)thio)phenyl)-4-((2,6-dimethylmorpholino)sulfonyl)benzamide is C22H25N3O4S2.
What is the molecular weight of N-(2-((2-cyanoethyl)thio)phenyl)-4-((2,6-dimethylmorpholino)sulfonyl)benzamide?
The molecular weight of N-(2-((2-cyanoethyl)thio)phenyl)-4-((2,6-dimethylmorpholino)sulfonyl)benzamide is 459.13 g/mol.
Where can I buy N-(2-((2-cyanoethyl)thio)phenyl)-4-((2,6-dimethylmorpholino)sulfonyl)benzamide?
You can request a quote for N-(2-((2-cyanoethyl)thio)phenyl)-4-((2,6-dimethylmorpholino)sulfonyl)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-((2,6-dimethylmorpholino)sulfonyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-((2-cyanoethyl)thio)phenyl)-4-((2,6-dimethylmorpholino)sulfonyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.