![2-(2-((4H-1,2,4-triazol-3-yl)thio)acetamido)-N-phenyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide structure](/static/products/780/780786-50-7.png)
2-(2-((4H-1,2,4-triazol-3-yl)thio)acetamido)-N-phenyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
TL;DR: 2-(2-((4H-1,2,4-triazol-3-yl)thio)acetamido)-N-phenyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide (CAS 780786-50-7) is a chemical compound with molecular formula C19H19N5O2S2 and molecular weight 413.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-phenyl-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: 2-(2-((4H-1,2,4-triazol-3-yl)thio)acetamido)-N-phenyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide, N-phenyl-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, N-phenyl-2-{[(4H-1,2,4-triazol-3-ylsulfanyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C19H19N5O2S2 |
|---|---|
| Molecular Weight | 413.10 g/mol |
| LogP | 3.7281 |
| Topological Polar Surface Area | 99.77 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.09802 |
| Heavy Atoms | 28 |
| Complexity | 969.88776 |
Chemical Identifiers
| CAS Number | 780786-50-7 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC=NN3)C(=O)NC4=CC=CC=C4 |
Product Overview
2-(2-((4H-1,2,4-triazol-3-yl)thio)acetamido)-N-phenyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide (CAS 780786-50-7), with molecular formula C19H19N5O2S2 and molecular weight 413.10 g/mol. IUPAC: N-phenyl-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of 2-(2-((4H-1,2,4-triazol-3-yl)thio)acetamido)-N-phenyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
Property Insights of 2-(2-((4H-1,2,4-triazol-3-yl)thio)acetamido)-N-phenyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
The XLogP value of 3.7281 indicates that 2-(2-((4H-1,2,4-triazol-3-yl)thio)acetamido)-N-phenyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-((4H-1,2,4-triazol-3-yl)thio)acetamido)-N-phenyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide. Following Lipinski's Rule of Five, 2-(2-((4H-1,2,4-triazol-3-yl)thio)acetamido)-N-phenyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide has 3 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-(2-((4H-1,2,4-triazol-3-yl)thio)acetamido)-N-phenyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide?
The CAS number of 2-(2-((4H-1,2,4-triazol-3-yl)thio)acetamido)-N-phenyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide is 780786-50-7.
What is the molecular formula of 2-(2-((4H-1,2,4-triazol-3-yl)thio)acetamido)-N-phenyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide?
The molecular formula of 2-(2-((4H-1,2,4-triazol-3-yl)thio)acetamido)-N-phenyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide is C19H19N5O2S2.
What is the molecular weight of 2-(2-((4H-1,2,4-triazol-3-yl)thio)acetamido)-N-phenyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide?
The molecular weight of 2-(2-((4H-1,2,4-triazol-3-yl)thio)acetamido)-N-phenyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide is 413.10 g/mol.
Where can I buy 2-(2-((4H-1,2,4-triazol-3-yl)thio)acetamido)-N-phenyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide?
You can request a quote for 2-(2-((4H-1,2,4-triazol-3-yl)thio)acetamido)-N-phenyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-((4H-1,2,4-triazol-3-yl)thio)acetamido)-N-phenyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-((4H-1,2,4-triazol-3-yl)thio)acetamido)-N-phenyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.