![2-{[(2-chlorophenoxy)acetyl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide structure](/static/products/797/797774-09-5.png)
2-{[(2-chlorophenoxy)acetyl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
TL;DR: 2-{[(2-chlorophenoxy)acetyl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CAS 797774-09-5) is a chemical compound with molecular formula C21H23ClN2O5S2 and molecular weight 482.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(2-chlorophenoxy)acetyl]amino]-N-(1,1-dioxothiolan-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: 2-{[(2-chlorophenoxy)acetyl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-(2-(2-chlorophenoxy)acetamido)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide, 2-[[2-(2-chlorophenoxy)acetyl]amino]-N-(1,1-dioxothiolan-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, N-{3-[N-(1,1-dioxothiolan-3-yl)carbamoyl](4,5,6,7-tetrahydrobenzo[b]thiophen-2 -yl)}-2-(2-chlorophenoxy)acetamide
| Molecular Formula | C21H23ClN2O5S2 |
|---|---|
| Molecular Weight | 482.07 g/mol |
| LogP | 3.2147 |
| Topological Polar Surface Area | 101.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 482.0737 |
| Heavy Atoms | 31 |
| Complexity | 1112.9685 |
Chemical Identifiers
| CAS Number | 797774-09-5 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)COC3=CC=CC=C3Cl)C(=O)NC4CCS(=O)(=O)C4 |
Product Overview
2-{[(2-chlorophenoxy)acetyl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CAS 797774-09-5), with molecular formula C21H23ClN2O5S2 and molecular weight 482.07 g/mol. IUPAC: 2-[[2-(2-chlorophenoxy)acetyl]amino]-N-(1,1-dioxothiolan-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of 2-{[(2-chlorophenoxy)acetyl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Property Insights of 2-{[(2-chlorophenoxy)acetyl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
The XLogP value of 3.2147 indicates that 2-{[(2-chlorophenoxy)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-chlorophenoxy)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-chlorophenoxy)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), 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-chlorophenoxy)acetyl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The CAS number of 2-{[(2-chlorophenoxy)acetyl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is 797774-09-5.
What is the molecular formula of 2-{[(2-chlorophenoxy)acetyl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The molecular formula of 2-{[(2-chlorophenoxy)acetyl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is C21H23ClN2O5S2.
What is the molecular weight of 2-{[(2-chlorophenoxy)acetyl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The molecular weight of 2-{[(2-chlorophenoxy)acetyl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is 482.07 g/mol.
Where can I buy 2-{[(2-chlorophenoxy)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-chlorophenoxy)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-chlorophenoxy)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-chlorophenoxy)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.