(E)-N-(2-methoxy-5-methylphenyl)-N-(2-oxo-2-(2-(4-(thietan-3-yloxy)benzylidene)hydrazinyl)ethyl)methanesulfonamide
TL;DR: (E)-N-(2-methoxy-5-methylphenyl)-N-(2-oxo-2-(2-(4-(thietan-3-yloxy)benzylidene)hydrazinyl)ethyl)methanesulfonamide (CAS 592468-76-3) is a chemical compound with molecular formula C21H25N3O5S2 and molecular weight 463.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(E)-[4-(thietan-3-yloxy)phenyl]methylideneamino]acetamide
Also Known As: (E)-N-(2-methoxy-5-methylphenyl)-N-(2-oxo-2-(2-(4-(thietan-3-yloxy)benzylidene)hydrazinyl)ethyl)methanesulfonamide, 2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(E)-[4-(thietan-3-yloxy)phenyl]methylideneamino]acetamide, N-(2-methoxy-5-methylphenyl)-N-(2-oxo-2-{(2E)-2-[4-(thietan-3-yloxy)benzylidene]hydrazinyl}ethyl)methanesulfonamide (non-preferred name), N-[(1E)-2-(4-thietan-3-yloxyphenyl)-1-azavinyl]-2-[(2-methoxy-5-methylphenyl)( methylsulfonyl)amino]acetamide
| Molecular Formula | C21H25N3O5S2 |
|---|---|
| Molecular Weight | 463.12 g/mol |
| LogP | 2.41412 |
| Topological Polar Surface Area | 97.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 463.12357 |
| Heavy Atoms | 31 |
| Complexity | 1051.1849 |
Chemical Identifiers
| CAS Number | 592468-76-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC)N(CC(=O)N/N=C/C2=CC=C(C=C2)OC3CSC3)S(=O)(=O)C |
Product Overview
(E)-N-(2-methoxy-5-methylphenyl)-N-(2-oxo-2-(2-(4-(thietan-3-yloxy)benzylidene)hydrazinyl)ethyl)methanesulfonamide (CAS 592468-76-3), with molecular formula C21H25N3O5S2 and molecular weight 463.12 g/mol. IUPAC: 2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(E)-[4-(thietan-3-yloxy)phenyl]methylideneamino]acetamide.
Chemical Property Profile of (E)-N-(2-methoxy-5-methylphenyl)-N-(2-oxo-2-(2-(4-(thietan-3-yloxy)benzylidene)hydrazinyl)ethyl)methanesulfonamide
Property Insights of (E)-N-(2-methoxy-5-methylphenyl)-N-(2-oxo-2-(2-(4-(thietan-3-yloxy)benzylidene)hydrazinyl)ethyl)methanesulfonamide
The XLogP value of 2.41412 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-N-(2-methoxy-5-methylphenyl)-N-(2-oxo-2-(2-(4-(thietan-3-yloxy)benzylidene)hydrazinyl)ethyl)methanesulfonamide. The TPSA of 97.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-(2-methoxy-5-methylphenyl)-N-(2-oxo-2-(2-(4-(thietan-3-yloxy)benzylidene)hydrazinyl)ethyl)methanesulfonamide. Following Lipinski's Rule of Five, (E)-N-(2-methoxy-5-methylphenyl)-N-(2-oxo-2-(2-(4-(thietan-3-yloxy)benzylidene)hydrazinyl)ethyl)methanesulfonamide has 1 hydrogen bond donor(s) and 7 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-methoxy-5-methylphenyl)-N-(2-oxo-2-(2-(4-(thietan-3-yloxy)benzylidene)hydrazinyl)ethyl)methanesulfonamide?
The CAS number of (E)-N-(2-methoxy-5-methylphenyl)-N-(2-oxo-2-(2-(4-(thietan-3-yloxy)benzylidene)hydrazinyl)ethyl)methanesulfonamide is 592468-76-3.
What is the molecular formula of (E)-N-(2-methoxy-5-methylphenyl)-N-(2-oxo-2-(2-(4-(thietan-3-yloxy)benzylidene)hydrazinyl)ethyl)methanesulfonamide?
The molecular formula of (E)-N-(2-methoxy-5-methylphenyl)-N-(2-oxo-2-(2-(4-(thietan-3-yloxy)benzylidene)hydrazinyl)ethyl)methanesulfonamide is C21H25N3O5S2.
What is the molecular weight of (E)-N-(2-methoxy-5-methylphenyl)-N-(2-oxo-2-(2-(4-(thietan-3-yloxy)benzylidene)hydrazinyl)ethyl)methanesulfonamide?
The molecular weight of (E)-N-(2-methoxy-5-methylphenyl)-N-(2-oxo-2-(2-(4-(thietan-3-yloxy)benzylidene)hydrazinyl)ethyl)methanesulfonamide is 463.12 g/mol.
Where can I buy (E)-N-(2-methoxy-5-methylphenyl)-N-(2-oxo-2-(2-(4-(thietan-3-yloxy)benzylidene)hydrazinyl)ethyl)methanesulfonamide?
You can request a quote for (E)-N-(2-methoxy-5-methylphenyl)-N-(2-oxo-2-(2-(4-(thietan-3-yloxy)benzylidene)hydrazinyl)ethyl)methanesulfonamide 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-methoxy-5-methylphenyl)-N-(2-oxo-2-(2-(4-(thietan-3-yloxy)benzylidene)hydrazinyl)ethyl)methanesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-(2-methoxy-5-methylphenyl)-N-(2-oxo-2-(2-(4-(thietan-3-yloxy)benzylidene)hydrazinyl)ethyl)methanesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.