![4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide structure](/static/products/102/1025020-06-7.webp)
4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
TL;DR: 4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide (CAS 1025020-06-7) is a chemical compound with molecular formula C21H27N3O5S3 and molecular weight 497.1113 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
Also Known As: 4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide, 4-methylsulfanyl-2-(2-phenylethenylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide, 4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
Technical Specifications
| Molecular Formula | C21H27N3O5S3 |
| Molecular Weight | 497.1113 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 177.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 497.1113 Da |
| Heavy Atoms | 32 |
| Complexity | 805.0 |
| SMILES | CSCCC(C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N)NS(=O)(=O)/C=C/C2=CC=CC=C2 |
| InChIKey | DAJZSKBFDDHDQJ-DTQAZKPQSA-N |
Chemical Property Profile of 4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
Property Insights of 4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide. The TPSA of 177.0 Ų indicates high polarity, suggesting 4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
The CAS number of 4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide is 1025020-06-7.
What is the molecular formula of 4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
The molecular formula of 4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide is C21H27N3O5S3.
What is the molecular weight of 4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
The molecular weight of 4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide is 497.1113 g/mol.
Where can I buy 4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
You can request a quote for 4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
Yes, CoreyChem provides custom synthesis services for 4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.