3-(2-methylpropanoylamino)-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide
TL;DR: 3-(2-methylpropanoylamino)-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide (CAS 701239-36-3) is a chemical compound with molecular formula C21H22N4O2S and molecular weight 394.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylpropanoylamino)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
Also Known As: 3-(2-methylpropanoylamino)-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide, 2-methyl-N-(3-{N-[5-(2-phenylethyl)(1,3,4-thiadiazol-2-yl)]carbamoyl}phenyl)pr opanamide, 3-(2-METHYLPROPANAMIDO)-N-[5-(2-PHENYLETHYL)-1,3,4-THIADIAZOL-2-YL]BENZAMIDE, 3-(2-methylpropanoylamino)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide, 3-[(2-methylpropanoyl)amino]-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
| Molecular Formula | C21H22N4O2S |
|---|---|
| Molecular Weight | 394.15 g/mol |
| LogP | 4.1701 |
| Topological Polar Surface Area | 83.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 394.14636 |
| Heavy Atoms | 28 |
| Complexity | 953.80414 |
Chemical Identifiers
| CAS Number | 701239-36-3 |
|---|---|
| SMILES | CC(C)C(=O)NC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)CCC3=CC=CC=C3 |
Product Overview
3-(2-methylpropanoylamino)-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide (CAS 701239-36-3), with molecular formula C21H22N4O2S and molecular weight 394.15 g/mol. IUPAC: 3-(2-methylpropanoylamino)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide.
Chemical Property Profile of 3-(2-methylpropanoylamino)-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide
Property Insights of 3-(2-methylpropanoylamino)-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide
The XLogP value of 4.1701 indicates that 3-(2-methylpropanoylamino)-N-(5-phenethyl-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 3-(2-methylpropanoylamino)-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide. Following Lipinski's Rule of Five, 3-(2-methylpropanoylamino)-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide has 2 hydrogen bond donor(s) and 5 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 3-(2-methylpropanoylamino)-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide?
The CAS number of 3-(2-methylpropanoylamino)-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide is 701239-36-3.
What is the molecular formula of 3-(2-methylpropanoylamino)-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide?
The molecular formula of 3-(2-methylpropanoylamino)-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide is C21H22N4O2S.
What is the molecular weight of 3-(2-methylpropanoylamino)-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide?
The molecular weight of 3-(2-methylpropanoylamino)-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide is 394.15 g/mol.
Where can I buy 3-(2-methylpropanoylamino)-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide?
You can request a quote for 3-(2-methylpropanoylamino)-N-(5-phenethyl-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 3-(2-methylpropanoylamino)-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-methylpropanoylamino)-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.