N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-ethylsulfonylbenzamide
TL;DR: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-ethylsulfonylbenzamide (CAS 898459-07-9) is a chemical compound with molecular formula C18H18N2O3S2 and molecular weight 374.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-ethylsulfonylbenzamide
Also Known As: AB00680346-01, F2646-0573, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(ethanesulfonyl)benzamide, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-ethylsulfonylbenzamide, N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2-(ethylsulfonyl)benzamide
| Molecular Formula | C18H18N2O3S2 |
|---|---|
| Molecular Weight | 374.08 g/mol |
| LogP | 3.54448 |
| Topological Polar Surface Area | 87.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.0759 |
| Heavy Atoms | 25 |
| Complexity | 968.69275 |
Chemical Identifiers
| CAS Number | 898459-07-9 |
|---|---|
| SMILES | CCS(=O)(=O)C1=CC=CC=C1C(=O)NC2=C(C3=C(S2)CCCC3)C#N |
Product Overview
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-ethylsulfonylbenzamide (CAS 898459-07-9), with molecular formula C18H18N2O3S2 and molecular weight 374.08 g/mol. IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-ethylsulfonylbenzamide.
Chemical Property Profile of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-ethylsulfonylbenzamide
Property Insights of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-ethylsulfonylbenzamide
The XLogP value of 3.54448 indicates that N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-ethylsulfonylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.03 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-ethylsulfonylbenzamide. Following Lipinski's Rule of Five, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-ethylsulfonylbenzamide has 1 hydrogen bond donor(s) and 5 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-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-ethylsulfonylbenzamide?
The CAS number of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-ethylsulfonylbenzamide is 898459-07-9.
What is the molecular formula of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-ethylsulfonylbenzamide?
The molecular formula of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-ethylsulfonylbenzamide is C18H18N2O3S2.
What is the molecular weight of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-ethylsulfonylbenzamide?
The molecular weight of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-ethylsulfonylbenzamide is 374.08 g/mol.
Where can I buy N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-ethylsulfonylbenzamide?
You can request a quote for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-ethylsulfonylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-ethylsulfonylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-ethylsulfonylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.