(E)-N-(2-((2-cyanoethyl)thio)phenyl)-3-(5-nitrothiophen-2-yl)acrylamide
TL;DR: (E)-N-(2-((2-cyanoethyl)thio)phenyl)-3-(5-nitrothiophen-2-yl)acrylamide (CAS 477498-32-1) is a chemical compound with molecular formula C16H13N3O3S2 and molecular weight 359.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[2-(2-cyanoethylsulfanyl)phenyl]-3-(5-nitrothiophen-2-yl)prop-2-enamide
Also Known As: F0806-0881, (E)-N-(2-((2-cyanoethyl)thio)phenyl)-3-(5-nitrothiophen-2-yl)acrylamide, (2E)-N-{2-[(2-cyanoethyl)sulfanyl]phenyl}-3-(5-nitrothiophen-2-yl)prop-2-enamide, (E)-N-[2-(2-cyanoethylsulfanyl)phenyl]-3-(5-nitrothiophen-2-yl)prop-2-enamide, N-[o-(2-cyanoethylthio)phenyl]-(E)-3-(5-nitro-2-thienyl)acrylamide
| Molecular Formula | C16H13N3O3S2 |
|---|---|
| Molecular Weight | 359.04 g/mol |
| LogP | 4.31398 |
| Topological Polar Surface Area | 96.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 359.03983 |
| Heavy Atoms | 24 |
| Complexity | 808.8941 |
Chemical Identifiers
| CAS Number | 477498-32-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NC(=O)/C=C/C2=CC=C(S2)[N+](=O)[O-])SCCC#N |
Product Overview
(E)-N-(2-((2-cyanoethyl)thio)phenyl)-3-(5-nitrothiophen-2-yl)acrylamide (CAS 477498-32-1), with molecular formula C16H13N3O3S2 and molecular weight 359.04 g/mol. IUPAC: (E)-N-[2-(2-cyanoethylsulfanyl)phenyl]-3-(5-nitrothiophen-2-yl)prop-2-enamide.
Chemical Property Profile of (E)-N-(2-((2-cyanoethyl)thio)phenyl)-3-(5-nitrothiophen-2-yl)acrylamide
Property Insights of (E)-N-(2-((2-cyanoethyl)thio)phenyl)-3-(5-nitrothiophen-2-yl)acrylamide
The XLogP value of 4.31398 indicates that (E)-N-(2-((2-cyanoethyl)thio)phenyl)-3-(5-nitrothiophen-2-yl)acrylamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.03 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-(2-((2-cyanoethyl)thio)phenyl)-3-(5-nitrothiophen-2-yl)acrylamide. Following Lipinski's Rule of Five, (E)-N-(2-((2-cyanoethyl)thio)phenyl)-3-(5-nitrothiophen-2-yl)acrylamide has 1 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 (E)-N-(2-((2-cyanoethyl)thio)phenyl)-3-(5-nitrothiophen-2-yl)acrylamide?
The CAS number of (E)-N-(2-((2-cyanoethyl)thio)phenyl)-3-(5-nitrothiophen-2-yl)acrylamide is 477498-32-1.
What is the molecular formula of (E)-N-(2-((2-cyanoethyl)thio)phenyl)-3-(5-nitrothiophen-2-yl)acrylamide?
The molecular formula of (E)-N-(2-((2-cyanoethyl)thio)phenyl)-3-(5-nitrothiophen-2-yl)acrylamide is C16H13N3O3S2.
What is the molecular weight of (E)-N-(2-((2-cyanoethyl)thio)phenyl)-3-(5-nitrothiophen-2-yl)acrylamide?
The molecular weight of (E)-N-(2-((2-cyanoethyl)thio)phenyl)-3-(5-nitrothiophen-2-yl)acrylamide is 359.04 g/mol.
Where can I buy (E)-N-(2-((2-cyanoethyl)thio)phenyl)-3-(5-nitrothiophen-2-yl)acrylamide?
You can request a quote for (E)-N-(2-((2-cyanoethyl)thio)phenyl)-3-(5-nitrothiophen-2-yl)acrylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N-(2-((2-cyanoethyl)thio)phenyl)-3-(5-nitrothiophen-2-yl)acrylamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-(2-((2-cyanoethyl)thio)phenyl)-3-(5-nitrothiophen-2-yl)acrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.