N-(5-((2-oxo-2-phenylethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(pyrrolidin-1-ylsulfonyl)benzamide
TL;DR: N-(5-((2-oxo-2-phenylethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(pyrrolidin-1-ylsulfonyl)benzamide (CAS 690247-35-9) is a chemical compound with molecular formula C21H20N4O4S3 and molecular weight 488.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
Also Known As: N-(5-((2-oxo-2-phenylethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(pyrrolidin-1-ylsulfonyl)benzamide, F1651-0097, N-{5-[(2-OXO-2-PHENYLETHYL)SULFANYL]-1,3,4-THIADIAZOL-2-YL}-3-(PYRROLIDINE-1-SULFONYL)BENZAMIDE, N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide, N-[5-(2-oxo-2-phenylethylthio)(1,3,4-thiadiazol-2-yl)][3-(pyrrolidinylsulfonyl )phenyl]carboxamide
| Molecular Formula | C21H20N4O4S3 |
|---|---|
| Molecular Weight | 488.06 g/mol |
| LogP | 3.5499 |
| Topological Polar Surface Area | 109.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 488.06467 |
| Heavy Atoms | 32 |
| Complexity | 1222.6064 |
Chemical Identifiers
| CAS Number | 690247-35-9 |
|---|---|
| SMILES | C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NN=C(S3)SCC(=O)C4=CC=CC=C4 |
Product Overview
N-(5-((2-oxo-2-phenylethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(pyrrolidin-1-ylsulfonyl)benzamide (CAS 690247-35-9), with molecular formula C21H20N4O4S3 and molecular weight 488.06 g/mol. IUPAC: N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide.
Chemical Property Profile of N-(5-((2-oxo-2-phenylethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(pyrrolidin-1-ylsulfonyl)benzamide
Property Insights of N-(5-((2-oxo-2-phenylethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(pyrrolidin-1-ylsulfonyl)benzamide
The XLogP value of 3.5499 indicates that N-(5-((2-oxo-2-phenylethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(pyrrolidin-1-ylsulfonyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.33 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-((2-oxo-2-phenylethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(pyrrolidin-1-ylsulfonyl)benzamide. Following Lipinski's Rule of Five, N-(5-((2-oxo-2-phenylethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(pyrrolidin-1-ylsulfonyl)benzamide has 1 hydrogen bond donor(s) and 8 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-oxo-2-phenylethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(pyrrolidin-1-ylsulfonyl)benzamide?
The CAS number of N-(5-((2-oxo-2-phenylethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(pyrrolidin-1-ylsulfonyl)benzamide is 690247-35-9.
What is the molecular formula of N-(5-((2-oxo-2-phenylethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(pyrrolidin-1-ylsulfonyl)benzamide?
The molecular formula of N-(5-((2-oxo-2-phenylethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(pyrrolidin-1-ylsulfonyl)benzamide is C21H20N4O4S3.
What is the molecular weight of N-(5-((2-oxo-2-phenylethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(pyrrolidin-1-ylsulfonyl)benzamide?
The molecular weight of N-(5-((2-oxo-2-phenylethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(pyrrolidin-1-ylsulfonyl)benzamide is 488.06 g/mol.
Where can I buy N-(5-((2-oxo-2-phenylethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(pyrrolidin-1-ylsulfonyl)benzamide?
You can request a quote for N-(5-((2-oxo-2-phenylethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(pyrrolidin-1-ylsulfonyl)benzamide 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-oxo-2-phenylethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(pyrrolidin-1-ylsulfonyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-((2-oxo-2-phenylethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(pyrrolidin-1-ylsulfonyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.