2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(piperidin-1-ylsulfonyl)phenyl)acetamide
TL;DR: 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(piperidin-1-ylsulfonyl)phenyl)acetamide (CAS 930933-29-2) is a chemical compound with molecular formula C16H21N5O3S2 and molecular weight 395.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
Also Known As: 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(piperidin-1-ylsulfonyl)phenyl)acetamide, 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide, 2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(piperidin-1-ylsulfonyl)phenyl]acetamide
| Molecular Formula | C16H21N5O3S2 |
|---|---|
| Molecular Weight | 395.11 g/mol |
| LogP | 1.7205 |
| Topological Polar Surface Area | 97.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 395.10858 |
| Heavy Atoms | 26 |
| Complexity | 858.2653 |
Chemical Identifiers
| CAS Number | 930933-29-2 |
|---|---|
| SMILES | CN1C=NN=C1SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 |
Product Overview
2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(piperidin-1-ylsulfonyl)phenyl)acetamide (CAS 930933-29-2), with molecular formula C16H21N5O3S2 and molecular weight 395.11 g/mol. IUPAC: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide.
Chemical Property Profile of 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(piperidin-1-ylsulfonyl)phenyl)acetamide
Property Insights of 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(piperidin-1-ylsulfonyl)phenyl)acetamide
The XLogP value of 1.7205 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(piperidin-1-ylsulfonyl)phenyl)acetamide. The TPSA of 97.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(piperidin-1-ylsulfonyl)phenyl)acetamide. Following Lipinski's Rule of Five, 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(piperidin-1-ylsulfonyl)phenyl)acetamide has 1 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 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(piperidin-1-ylsulfonyl)phenyl)acetamide?
The CAS number of 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(piperidin-1-ylsulfonyl)phenyl)acetamide is 930933-29-2.
What is the molecular formula of 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(piperidin-1-ylsulfonyl)phenyl)acetamide?
The molecular formula of 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(piperidin-1-ylsulfonyl)phenyl)acetamide is C16H21N5O3S2.
What is the molecular weight of 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(piperidin-1-ylsulfonyl)phenyl)acetamide?
The molecular weight of 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(piperidin-1-ylsulfonyl)phenyl)acetamide is 395.11 g/mol.
Where can I buy 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(piperidin-1-ylsulfonyl)phenyl)acetamide?
You can request a quote for 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(piperidin-1-ylsulfonyl)phenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(piperidin-1-ylsulfonyl)phenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(piperidin-1-ylsulfonyl)phenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.