![N-(1-{4-ethyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)benzamide structure](/static/products/6944/694469-19-7.webp)
N-(1-{4-ethyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)benzamide
TL;DR: N-(1-{4-ethyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)benzamide (CAS 694469-19-7) is a chemical compound with molecular formula C22H22F3N5O2S and molecular weight 477.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[4-ethyl-5-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide
Also Known As: N-(1-{4-ethyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)benzamide, N-[1-[4-ethyl-5-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide, N-(1-{4-ETHYL-5-[({[3-(TRIFLUOROMETHYL)PHENYL]CARBAMOYL}METHYL)SULFANYL]-1,2,4-TRIAZOL-3-YL}ETHYL)BENZAMIDE
| Molecular Formula | C22H22F3N5O2S |
|---|---|
| Molecular Weight | 477.14 g/mol |
| LogP | 4.5386 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 477.14462 |
| Heavy Atoms | 33 |
| Complexity | 1118.7191 |
Chemical Identifiers
| CAS Number | 694469-19-7 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(F)(F)F)C(C)NC(=O)C3=CC=CC=C3 |
Product Overview
N-(1-{4-ethyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)benzamide (CAS 694469-19-7), with molecular formula C22H22F3N5O2S and molecular weight 477.14 g/mol. IUPAC: N-[1-[4-ethyl-5-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide.
Chemical Property Profile of N-(1-{4-ethyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)benzamide
Property Insights of N-(1-{4-ethyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)benzamide
The XLogP value of 4.5386 indicates that N-(1-{4-ethyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.91 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-{4-ethyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)benzamide. Following Lipinski's Rule of Five, N-(1-{4-ethyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)benzamide has 2 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-(1-{4-ethyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)benzamide?
The CAS number of N-(1-{4-ethyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)benzamide is 694469-19-7.
What is the molecular formula of N-(1-{4-ethyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)benzamide?
The molecular formula of N-(1-{4-ethyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)benzamide is C22H22F3N5O2S.
What is the molecular weight of N-(1-{4-ethyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)benzamide?
The molecular weight of N-(1-{4-ethyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)benzamide is 477.14 g/mol.
Where can I buy N-(1-{4-ethyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)benzamide?
You can request a quote for N-(1-{4-ethyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-{4-ethyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-{4-ethyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.