![2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide structure](/static/products/5225/522597-89-3.webp)
2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
TL;DR: 2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CAS 522597-89-3) is a chemical compound with molecular formula C28H29F3N2O4S and molecular weight 546.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: 2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-{[(3,4-diethoxyphenyl)acetyl]amino}-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-(3,4-diethoxyphenyl)-N-(3-{N-[3-(trifluoromethyl)phenyl]carbamoyl}(4,5,6,7-t etrahydrobenzo[b]thiophen-2-yl))acetamide
| Molecular Formula | C28H29F3N2O4S |
|---|---|
| Molecular Weight | 546.18 g/mol |
| LogP | 6.8766 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 546.18 |
| Heavy Atoms | 38 |
| Complexity | 1319.913 |
Chemical Identifiers
| CAS Number | 522597-89-3 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NC4=CC=CC(=C4)C(F)(F)F)OCC |
Product Overview
2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CAS 522597-89-3), with molecular formula C28H29F3N2O4S and molecular weight 546.18 g/mol. IUPAC: 2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of 2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Property Insights of 2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
The XLogP value of 6.8766 indicates that 2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide. Following Lipinski's Rule of Five, 2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The CAS number of 2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is 522597-89-3.
What is the molecular formula of 2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The molecular formula of 2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is C28H29F3N2O4S.
What is the molecular weight of 2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The molecular weight of 2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is 546.18 g/mol.
Where can I buy 2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
You can request a quote for 2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-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-(3,4-diethoxyphenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.