![2-{[(2,4-dichlorophenoxy)acetyl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide structure](/static/products/797/797771-59-6.png)
2-{[(2,4-dichlorophenoxy)acetyl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
TL;DR: 2-{[(2,4-dichlorophenoxy)acetyl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CAS 797771-59-6) is a chemical compound with molecular formula C21H22Cl2N2O5S2 and molecular weight 516.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(1,1-dioxothiolan-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: 2-{[(2,4-dichlorophenoxy)acetyl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-(2,4-dichlorophenoxy)-N-{3-[N-(1,1-dioxothiolan-3-yl)carbamoyl](4,5,6,7-tetr ahydrobenzo[b]thiophen-2-yl)}acetamide, 2-(2-(2,4-dichlorophenoxy)acetamido)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide, 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(1,1-dioxothiolan-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C21H22Cl2N2O5S2 |
|---|---|
| Molecular Weight | 516.03 g/mol |
| LogP | 3.8681 |
| Topological Polar Surface Area | 101.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 516.0347 |
| Heavy Atoms | 32 |
| Complexity | 1163.1802 |
Chemical Identifiers
| CAS Number | 797771-59-6 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)COC3=C(C=C(C=C3)Cl)Cl)C(=O)NC4CCS(=O)(=O)C4 |
Product Overview
2-{[(2,4-dichlorophenoxy)acetyl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CAS 797771-59-6), with molecular formula C21H22Cl2N2O5S2 and molecular weight 516.03 g/mol. IUPAC: 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(1,1-dioxothiolan-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of 2-{[(2,4-dichlorophenoxy)acetyl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Property Insights of 2-{[(2,4-dichlorophenoxy)acetyl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
The XLogP value of 3.8681 indicates that 2-{[(2,4-dichlorophenoxy)acetyl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)-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 101.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(2,4-dichlorophenoxy)acetyl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide. Following Lipinski's Rule of Five, 2-{[(2,4-dichlorophenoxy)acetyl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{[(2,4-dichlorophenoxy)acetyl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The CAS number of 2-{[(2,4-dichlorophenoxy)acetyl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is 797771-59-6.
What is the molecular formula of 2-{[(2,4-dichlorophenoxy)acetyl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The molecular formula of 2-{[(2,4-dichlorophenoxy)acetyl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is C21H22Cl2N2O5S2.
What is the molecular weight of 2-{[(2,4-dichlorophenoxy)acetyl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The molecular weight of 2-{[(2,4-dichlorophenoxy)acetyl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is 516.03 g/mol.
Where can I buy 2-{[(2,4-dichlorophenoxy)acetyl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
You can request a quote for 2-{[(2,4-dichlorophenoxy)acetyl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)-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-{[(2,4-dichlorophenoxy)acetyl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(2,4-dichlorophenoxy)acetyl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.