4-(morpholinosulfonyl)-N-(5-((2-oxo-2-((2-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide
TL;DR: 4-(morpholinosulfonyl)-N-(5-((2-oxo-2-((2-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide (CAS 389073-69-2) is a chemical compound with molecular formula C22H20F3N5O5S3 and molecular weight 587.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-morpholin-4-ylsulfonyl-N-[5-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
Also Known As: 4-(morpholinosulfonyl)-N-(5-((2-oxo-2-((2-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide, 4-morpholin-4-ylsulfonyl-N-[5-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
| Molecular Formula | C22H20F3N5O5S3 |
|---|---|
| Molecular Weight | 587.06 g/mol |
| LogP | 3.5609 |
| Topological Polar Surface Area | 130.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 587.05786 |
| Heavy Atoms | 38 |
| Complexity | 1408.4762 |
Chemical Identifiers
| CAS Number | 389073-69-2 |
|---|---|
| SMILES | C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(S3)SCC(=O)NC4=CC=CC=C4C(F)(F)F |
Product Overview
4-(morpholinosulfonyl)-N-(5-((2-oxo-2-((2-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide (CAS 389073-69-2), with molecular formula C22H20F3N5O5S3 and molecular weight 587.06 g/mol. IUPAC: 4-morpholin-4-ylsulfonyl-N-[5-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide.
Chemical Property Profile of 4-(morpholinosulfonyl)-N-(5-((2-oxo-2-((2-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide
Property Insights of 4-(morpholinosulfonyl)-N-(5-((2-oxo-2-((2-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide
The XLogP value of 3.5609 indicates that 4-(morpholinosulfonyl)-N-(5-((2-oxo-2-((2-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(morpholinosulfonyl)-N-(5-((2-oxo-2-((2-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide. Following Lipinski's Rule of Five, 4-(morpholinosulfonyl)-N-(5-((2-oxo-2-((2-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(morpholinosulfonyl)-N-(5-((2-oxo-2-((2-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide?
The CAS number of 4-(morpholinosulfonyl)-N-(5-((2-oxo-2-((2-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide is 389073-69-2.
What is the molecular formula of 4-(morpholinosulfonyl)-N-(5-((2-oxo-2-((2-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide?
The molecular formula of 4-(morpholinosulfonyl)-N-(5-((2-oxo-2-((2-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide is C22H20F3N5O5S3.
What is the molecular weight of 4-(morpholinosulfonyl)-N-(5-((2-oxo-2-((2-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide?
The molecular weight of 4-(morpholinosulfonyl)-N-(5-((2-oxo-2-((2-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide is 587.06 g/mol.
Where can I buy 4-(morpholinosulfonyl)-N-(5-((2-oxo-2-((2-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide?
You can request a quote for 4-(morpholinosulfonyl)-N-(5-((2-oxo-2-((2-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(morpholinosulfonyl)-N-(5-((2-oxo-2-((2-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(morpholinosulfonyl)-N-(5-((2-oxo-2-((2-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.