![N-(1,1-dioxidotetrahydro-3-thienyl)-2-{[(2-nitrophenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide structure](/static/products/690/690668-04-3.png)
N-(1,1-dioxidotetrahydro-3-thienyl)-2-{[(2-nitrophenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
TL;DR: N-(1,1-dioxidotetrahydro-3-thienyl)-2-{[(2-nitrophenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CAS 690668-04-3) is a chemical compound with molecular formula C21H23N3O7S2 and molecular weight 493.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,1-dioxothiolan-3-yl)-2-[[2-(2-nitrophenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: N-(1,1-dioxidotetrahydro-3-thienyl)-2-{[(2-nitrophenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(2-(2-nitrophenoxy)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide, N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-{[(2-nitrophenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, N-(1,1-dioxothiolan-3-yl)-2-[[2-(2-nitrophenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C21H23N3O7S2 |
|---|---|
| Molecular Weight | 493.10 g/mol |
| LogP | 2.4695 |
| Topological Polar Surface Area | 144.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 493.09775 |
| Heavy Atoms | 33 |
| Complexity | 1206.4357 |
Chemical Identifiers
| CAS Number | 690668-04-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)COC3=CC=CC=C3[N+](=O)[O-])C(=O)NC4CCS(=O)(=O)C4 |
Product Overview
N-(1,1-dioxidotetrahydro-3-thienyl)-2-{[(2-nitrophenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CAS 690668-04-3), with molecular formula C21H23N3O7S2 and molecular weight 493.10 g/mol. IUPAC: N-(1,1-dioxothiolan-3-yl)-2-[[2-(2-nitrophenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of N-(1,1-dioxidotetrahydro-3-thienyl)-2-{[(2-nitrophenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Property Insights of N-(1,1-dioxidotetrahydro-3-thienyl)-2-{[(2-nitrophenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
The XLogP value of 2.4695 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,1-dioxidotetrahydro-3-thienyl)-2-{[(2-nitrophenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide. The TPSA of 144.71 Ų indicates high polarity, suggesting N-(1,1-dioxidotetrahydro-3-thienyl)-2-{[(2-nitrophenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(1,1-dioxidotetrahydro-3-thienyl)-2-{[(2-nitrophenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has 2 hydrogen bond donor(s) and 8 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 N-(1,1-dioxidotetrahydro-3-thienyl)-2-{[(2-nitrophenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The CAS number of N-(1,1-dioxidotetrahydro-3-thienyl)-2-{[(2-nitrophenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is 690668-04-3.
What is the molecular formula of N-(1,1-dioxidotetrahydro-3-thienyl)-2-{[(2-nitrophenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The molecular formula of N-(1,1-dioxidotetrahydro-3-thienyl)-2-{[(2-nitrophenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is C21H23N3O7S2.
What is the molecular weight of N-(1,1-dioxidotetrahydro-3-thienyl)-2-{[(2-nitrophenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The molecular weight of N-(1,1-dioxidotetrahydro-3-thienyl)-2-{[(2-nitrophenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is 493.10 g/mol.
Where can I buy N-(1,1-dioxidotetrahydro-3-thienyl)-2-{[(2-nitrophenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
You can request a quote for N-(1,1-dioxidotetrahydro-3-thienyl)-2-{[(2-nitrophenoxy)acetyl]amino}-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 N-(1,1-dioxidotetrahydro-3-thienyl)-2-{[(2-nitrophenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,1-dioxidotetrahydro-3-thienyl)-2-{[(2-nitrophenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.