N-(5-((2-((4-methylbenzyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide
TL;DR: N-(5-((2-((4-methylbenzyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide (CAS 535942-72-4) 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-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
Also Known As: N-(5-((2-((4-methylbenzyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide, N-[(2Z)-5-({2-[(4-methylbenzyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-phenylpropanamide, N-[5-[(4-methylphenyl)methylcarbamoylmethylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenyl-propanamide, N-[5-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
| Molecular Formula | C21H22N4O2S2 |
|---|---|
| Molecular Weight | 426.12 g/mol |
| LogP | 3.82632 |
| Topological Polar Surface Area | 83.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 426.1184 |
| Heavy Atoms | 29 |
| Complexity | 942.82965 |
Chemical Identifiers
| CAS Number | 535942-72-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CNC(=O)CSC2=NN=C(S2)NC(=O)CCC3=CC=CC=C3 |
Product Overview
N-(5-((2-((4-methylbenzyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide (CAS 535942-72-4), with molecular formula C21H22N4O2S2 and molecular weight 426.12 g/mol. IUPAC: N-[5-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide.
Chemical Property Profile of N-(5-((2-((4-methylbenzyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide
Property Insights of N-(5-((2-((4-methylbenzyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide
The XLogP value of 3.82632 indicates that N-(5-((2-((4-methylbenzyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide 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 N-(5-((2-((4-methylbenzyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide. Following Lipinski's Rule of Five, N-(5-((2-((4-methylbenzyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide 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 N-(5-((2-((4-methylbenzyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide?
The CAS number of N-(5-((2-((4-methylbenzyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide is 535942-72-4.
What is the molecular formula of N-(5-((2-((4-methylbenzyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide?
The molecular formula of N-(5-((2-((4-methylbenzyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide is C21H22N4O2S2.
What is the molecular weight of N-(5-((2-((4-methylbenzyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide?
The molecular weight of N-(5-((2-((4-methylbenzyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide is 426.12 g/mol.
Where can I buy N-(5-((2-((4-methylbenzyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide?
You can request a quote for N-(5-((2-((4-methylbenzyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-((2-((4-methylbenzyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-((2-((4-methylbenzyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.