N-(5-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide
TL;DR: N-(5-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide (CAS 392293-76-4) is a chemical compound with molecular formula C18H15N5O5S2 and molecular weight 445.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-nitrobenzamide
Also Known As: N-(5-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide, F0417-0366, N-[5-({[(4-methoxyphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-2-nitrobenzamide, N-[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-nitrobenzamide, N-[5-[(4-methoxyphenyl)carbamoylmethylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-nitro-benzamide
| Molecular Formula | C18H15N5O5S2 |
|---|---|
| Molecular Weight | 445.05 g/mol |
| LogP | 3.438 |
| Topological Polar Surface Area | 136.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 445.05145 |
| Heavy Atoms | 30 |
| Complexity | 1070.8389 |
Chemical Identifiers
| CAS Number | 392293-76-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC=CC=C3[N+](=O)[O-] |
Product Overview
N-(5-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide (CAS 392293-76-4), with molecular formula C18H15N5O5S2 and molecular weight 445.05 g/mol. IUPAC: N-[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-nitrobenzamide.
Chemical Property Profile of N-(5-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide
Property Insights of N-(5-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide
The XLogP value of 3.438 indicates that N-(5-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.35 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide. Following Lipinski's Rule of Five, N-(5-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide has 2 hydrogen bond donor(s) and 9 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-(5-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide?
The CAS number of N-(5-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide is 392293-76-4.
What is the molecular formula of N-(5-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide?
The molecular formula of N-(5-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide is C18H15N5O5S2.
What is the molecular weight of N-(5-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide?
The molecular weight of N-(5-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide is 445.05 g/mol.
Where can I buy N-(5-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide?
You can request a quote for N-(5-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.