![N-(1,1-dioxidotetrahydro-3-thienyl)-2-[(4-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide structure](/static/products/618/618079-12-2.png)
N-(1,1-dioxidotetrahydro-3-thienyl)-2-[(4-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
TL;DR: N-(1,1-dioxidotetrahydro-3-thienyl)-2-[(4-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CAS 618079-12-2) is a chemical compound with molecular formula C20H21N3O6S2 and molecular weight 463.09 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-[(4-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: N-(1,1-dioxidotetrahydro-3-thienyl)-2-[(4-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, N-(1,1-Dioxidotetrahydrothiophen-3-yl)-2-(4-nitrobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide, N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-{[(4-nitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, N-(1,1-dioxothiolan-3-yl)-2-[(4-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, N-(1,1-dioxothiolan-3-yl)-2-[(4-nitrobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
| Molecular Formula | C20H21N3O6S2 |
|---|---|
| Molecular Weight | 463.09 g/mol |
| LogP | 2.7043 |
| Topological Polar Surface Area | 135.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 463.0872 |
| Heavy Atoms | 31 |
| Complexity | 1154.323 |
Chemical Identifiers
| CAS Number | 618079-12-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NC4CCS(=O)(=O)C4 |
Product Overview
N-(1,1-dioxidotetrahydro-3-thienyl)-2-[(4-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CAS 618079-12-2), with molecular formula C20H21N3O6S2 and molecular weight 463.09 g/mol. IUPAC: N-(1,1-dioxothiolan-3-yl)-2-[(4-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of N-(1,1-dioxidotetrahydro-3-thienyl)-2-[(4-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Property Insights of N-(1,1-dioxidotetrahydro-3-thienyl)-2-[(4-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
The XLogP value of 2.7043 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,1-dioxidotetrahydro-3-thienyl)-2-[(4-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide. The TPSA of 135.48 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,1-dioxidotetrahydro-3-thienyl)-2-[(4-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide. Following Lipinski's Rule of Five, N-(1,1-dioxidotetrahydro-3-thienyl)-2-[(4-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has 2 hydrogen bond donor(s) and 7 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-[(4-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The CAS number of N-(1,1-dioxidotetrahydro-3-thienyl)-2-[(4-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is 618079-12-2.
What is the molecular formula of N-(1,1-dioxidotetrahydro-3-thienyl)-2-[(4-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The molecular formula of N-(1,1-dioxidotetrahydro-3-thienyl)-2-[(4-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is C20H21N3O6S2.
What is the molecular weight of N-(1,1-dioxidotetrahydro-3-thienyl)-2-[(4-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The molecular weight of N-(1,1-dioxidotetrahydro-3-thienyl)-2-[(4-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is 463.09 g/mol.
Where can I buy N-(1,1-dioxidotetrahydro-3-thienyl)-2-[(4-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
You can request a quote for N-(1,1-dioxidotetrahydro-3-thienyl)-2-[(4-nitrobenzoyl)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-[(4-nitrobenzoyl)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-[(4-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.