N-(5-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-4-(morpholinosulfonyl)benzamide
TL;DR: N-(5-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-4-(morpholinosulfonyl)benzamide (CAS 392294-07-4) is a chemical compound with molecular formula C22H23N5O6S3 and molecular weight 549.08 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]-4-morpholin-4-ylsulfonylbenzamide
Also Known As: N-(5-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-4-(morpholinosulfonyl)benzamide, N-[5-({[(4-methoxyphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-4-(morpholine-4-sulfonyl)benzamide, N-[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide
| Molecular Formula | C22H23N5O6S3 |
|---|---|
| Molecular Weight | 549.08 g/mol |
| LogP | 2.5507 |
| Topological Polar Surface Area | 139.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 549.08105 |
| Heavy Atoms | 36 |
| Complexity | 1306.7015 |
Chemical Identifiers
| CAS Number | 392294-07-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 |
Product Overview
N-(5-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-4-(morpholinosulfonyl)benzamide (CAS 392294-07-4), with molecular formula C22H23N5O6S3 and molecular weight 549.08 g/mol. IUPAC: N-[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide.
Chemical Property Profile of N-(5-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-4-(morpholinosulfonyl)benzamide
Property Insights of N-(5-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-4-(morpholinosulfonyl)benzamide
The XLogP value of 2.5507 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-4-(morpholinosulfonyl)benzamide. The TPSA of 139.82 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)-4-(morpholinosulfonyl)benzamide. Following Lipinski's Rule of Five, N-(5-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-4-(morpholinosulfonyl)benzamide has 2 hydrogen bond donor(s) and 10 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-methoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-4-(morpholinosulfonyl)benzamide?
The CAS number of N-(5-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-4-(morpholinosulfonyl)benzamide is 392294-07-4.
What is the molecular formula of N-(5-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-4-(morpholinosulfonyl)benzamide?
The molecular formula of N-(5-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-4-(morpholinosulfonyl)benzamide is C22H23N5O6S3.
What is the molecular weight of N-(5-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-4-(morpholinosulfonyl)benzamide?
The molecular weight of N-(5-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-4-(morpholinosulfonyl)benzamide is 549.08 g/mol.
Where can I buy N-(5-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-4-(morpholinosulfonyl)benzamide?
You can request a quote for N-(5-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-4-(morpholinosulfonyl)benzamide 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)-4-(morpholinosulfonyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-4-(morpholinosulfonyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.