N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
TL;DR: N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide (CAS 896301-45-4) is a chemical compound with molecular formula C18H19N3O3S2 and molecular weight 389.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
Also Known As: F2590-0021, N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-(pyrrolidin-1-ylsulfonyl)benzamide, N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-(pyrrolidine-1-sulfonyl)benzamide, N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
| Molecular Formula | C18H19N3O3S2 |
|---|---|
| Molecular Weight | 389.09 g/mol |
| LogP | 3.27342 |
| Topological Polar Surface Area | 90.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.0868 |
| Heavy Atoms | 26 |
| Complexity | 979.924 |
Chemical Identifiers
| CAS Number | 896301-45-4 |
|---|---|
| SMILES | CC1=C(SC(=C1C#N)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C |
Product Overview
N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide (CAS 896301-45-4), with molecular formula C18H19N3O3S2 and molecular weight 389.09 g/mol. IUPAC: N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide.
Chemical Property Profile of N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
Property Insights of N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
The XLogP value of 3.27342 indicates that N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide. Following Lipinski's Rule of Five, N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide 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-dimethylthiophen-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The CAS number of N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide is 896301-45-4.
What is the molecular formula of N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The molecular formula of N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide is C18H19N3O3S2.
What is the molecular weight of N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The molecular weight of N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide is 389.09 g/mol.
Where can I buy N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide?
You can request a quote for N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide 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-dimethylthiophen-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.