4-(tert-butyl)-N-(5-((2-((2,5-dimethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide
TL;DR: 4-(tert-butyl)-N-(5-((2-((2,5-dimethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide (CAS 392295-18-0) is a chemical compound with molecular formula C23H26N4O2S2 and molecular weight 454.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-N-[5-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
Also Known As: 4-(tert-butyl)-N-(5-((2-((2,5-dimethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide, F0417-0541, 4-tert-butyl-N-[5-({[(2,5-dimethylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide, 4-tert-butyl-N-[5-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide, N-[5-[(2,5-dimethylphenyl)carbamoylmethylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-tert-butyl-benzamide
| Molecular Formula | C23H26N4O2S2 |
|---|---|
| Molecular Weight | 454.15 g/mol |
| LogP | 5.43554 |
| Topological Polar Surface Area | 83.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 454.14972 |
| Heavy Atoms | 31 |
| Complexity | 1085.701 |
Chemical Identifiers
| CAS Number | 392295-18-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)C(C)(C)C |
Product Overview
4-(tert-butyl)-N-(5-((2-((2,5-dimethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide (CAS 392295-18-0), with molecular formula C23H26N4O2S2 and molecular weight 454.15 g/mol. IUPAC: 4-tert-butyl-N-[5-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide.
Chemical Property Profile of 4-(tert-butyl)-N-(5-((2-((2,5-dimethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide
Property Insights of 4-(tert-butyl)-N-(5-((2-((2,5-dimethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide
The XLogP value of 5.43554 indicates that 4-(tert-butyl)-N-(5-((2-((2,5-dimethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(tert-butyl)-N-(5-((2-((2,5-dimethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide. Following Lipinski's Rule of Five, 4-(tert-butyl)-N-(5-((2-((2,5-dimethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(tert-butyl)-N-(5-((2-((2,5-dimethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide?
The CAS number of 4-(tert-butyl)-N-(5-((2-((2,5-dimethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide is 392295-18-0.
What is the molecular formula of 4-(tert-butyl)-N-(5-((2-((2,5-dimethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide?
The molecular formula of 4-(tert-butyl)-N-(5-((2-((2,5-dimethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide is C23H26N4O2S2.
What is the molecular weight of 4-(tert-butyl)-N-(5-((2-((2,5-dimethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide?
The molecular weight of 4-(tert-butyl)-N-(5-((2-((2,5-dimethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide is 454.15 g/mol.
Where can I buy 4-(tert-butyl)-N-(5-((2-((2,5-dimethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide?
You can request a quote for 4-(tert-butyl)-N-(5-((2-((2,5-dimethylphenyl)amino)-2-oxoethyl)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-(tert-butyl)-N-(5-((2-((2,5-dimethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(tert-butyl)-N-(5-((2-((2,5-dimethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.