![N-[5-[2-(4-butyl-2-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-chloro-3-nitrobenzamide structure](/static/products/4733/4733-58-8.webp)
N-[5-[2-(4-butyl-2-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-chloro-3-nitrobenzamide
TL;DR: N-[5-[2-(4-butyl-2-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-chloro-3-nitrobenzamide (CAS 4733-58-8) is a chemical compound with molecular formula C22H22ClN5O4S2 and molecular weight 519.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[2-(4-butyl-2-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-chloro-3-nitrobenzamide
Also Known As: N-[5-[2-(4-butyl-2-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-chloro-3-nitrobenzamide, Benzamide, N-[5-[[2-[(4-butyl-2-methylphenyl)amino]-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-4-chloro-3-nitro-, N-(5-{[2-(4-Butyl-2-methylanilino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-chloro-3-nitrobenzamide, N-[5-({[(4-butyl-2-methylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-4-chloro-3-nitrobenzamide, N-[5-({2-[(4-Butyl-2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-4-chloro-3-nitrobenzamide
| Molecular Formula | C22H22ClN5O4S2 |
|---|---|
| Molecular Weight | 519.08 g/mol |
| LogP | 5.73382 |
| Topological Polar Surface Area | 127.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 519.0802 |
| Heavy Atoms | 34 |
| Complexity | 1217.7556 |
Chemical Identifiers
| CAS Number | 4733-58-8 |
|---|---|
| SMILES | CCCCC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C |
Product Overview
N-[5-[2-(4-butyl-2-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-chloro-3-nitrobenzamide (CAS 4733-58-8), with molecular formula C22H22ClN5O4S2 and molecular weight 519.08 g/mol. IUPAC: N-[5-[2-(4-butyl-2-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-chloro-3-nitrobenzamide.
Chemical Property Profile of N-[5-[2-(4-butyl-2-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-chloro-3-nitrobenzamide
Property Insights of N-[5-[2-(4-butyl-2-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-chloro-3-nitrobenzamide
The XLogP value of 5.73382 indicates that N-[5-[2-(4-butyl-2-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-chloro-3-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.12 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[5-[2-(4-butyl-2-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-chloro-3-nitrobenzamide. Following Lipinski's Rule of Five, N-[5-[2-(4-butyl-2-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-chloro-3-nitrobenzamide has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[5-[2-(4-butyl-2-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-chloro-3-nitrobenzamide?
The CAS number of N-[5-[2-(4-butyl-2-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-chloro-3-nitrobenzamide is 4733-58-8.
What is the molecular formula of N-[5-[2-(4-butyl-2-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-chloro-3-nitrobenzamide?
The molecular formula of N-[5-[2-(4-butyl-2-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-chloro-3-nitrobenzamide is C22H22ClN5O4S2.
What is the molecular weight of N-[5-[2-(4-butyl-2-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-chloro-3-nitrobenzamide?
The molecular weight of N-[5-[2-(4-butyl-2-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-chloro-3-nitrobenzamide is 519.08 g/mol.
Where can I buy N-[5-[2-(4-butyl-2-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-chloro-3-nitrobenzamide?
You can request a quote for N-[5-[2-(4-butyl-2-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-chloro-3-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-butyl-2-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-chloro-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[5-[2-(4-butyl-2-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-chloro-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.