4-(tert-butyl)-N-(5-((2-oxo-2-(phenylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide
TL;DR: 4-(tert-butyl)-N-(5-((2-oxo-2-(phenylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide (CAS 392290-98-1) is a chemical compound with molecular formula C21H22N4O2S2 and molecular weight 426.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-4-tert-butylbenzamide
Also Known As: 4-(tert-butyl)-N-(5-((2-oxo-2-(phenylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide, F0417-0049, 4-tert-butyl-N-(5-{[(phenylcarbamoyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide, N-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-4-tert-butylbenzamide, N-[5-(phenylcarbamoylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-tert-butyl-benzamide
| Molecular Formula | C21H22N4O2S2 |
|---|---|
| Molecular Weight | 426.12 g/mol |
| LogP | 4.8187 |
| Topological Polar Surface Area | 83.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.1184 |
| Heavy Atoms | 29 |
| Complexity | 979.92065 |
Chemical Identifiers
| CAS Number | 392290-98-1 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC(=O)NC3=CC=CC=C3 |
Product Overview
4-(tert-butyl)-N-(5-((2-oxo-2-(phenylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide (CAS 392290-98-1), with molecular formula C21H22N4O2S2 and molecular weight 426.12 g/mol. IUPAC: N-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-4-tert-butylbenzamide.
Chemical Property Profile of 4-(tert-butyl)-N-(5-((2-oxo-2-(phenylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide
Property Insights of 4-(tert-butyl)-N-(5-((2-oxo-2-(phenylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide
The XLogP value of 4.8187 indicates that 4-(tert-butyl)-N-(5-((2-oxo-2-(phenylamino)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 83.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(tert-butyl)-N-(5-((2-oxo-2-(phenylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide. Following Lipinski's Rule of Five, 4-(tert-butyl)-N-(5-((2-oxo-2-(phenylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide has 2 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 4-(tert-butyl)-N-(5-((2-oxo-2-(phenylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide?
The CAS number of 4-(tert-butyl)-N-(5-((2-oxo-2-(phenylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide is 392290-98-1.
What is the molecular formula of 4-(tert-butyl)-N-(5-((2-oxo-2-(phenylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide?
The molecular formula of 4-(tert-butyl)-N-(5-((2-oxo-2-(phenylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide is C21H22N4O2S2.
What is the molecular weight of 4-(tert-butyl)-N-(5-((2-oxo-2-(phenylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide?
The molecular weight of 4-(tert-butyl)-N-(5-((2-oxo-2-(phenylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide is 426.12 g/mol.
Where can I buy 4-(tert-butyl)-N-(5-((2-oxo-2-(phenylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide?
You can request a quote for 4-(tert-butyl)-N-(5-((2-oxo-2-(phenylamino)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-(tert-butyl)-N-(5-((2-oxo-2-(phenylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(tert-butyl)-N-(5-((2-oxo-2-(phenylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.