![2-((3-Methyl-2-oxo-2,3-dihydrobenzo[d]oxazole)-6-sulfonamido)-4-(methylthio)-N-(4-(trifluoromethoxy)phenyl)butanamide structure](/static/products/1037/1037588-62-7.webp)
2-((3-Methyl-2-oxo-2,3-dihydrobenzo[d]oxazole)-6-sulfonamido)-4-(methylthio)-N-(4-(trifluoromethoxy)phenyl)butanamide
TL;DR: 2-((3-Methyl-2-oxo-2,3-dihydrobenzo[d]oxazole)-6-sulfonamido)-4-(methylthio)-N-(4-(trifluoromethoxy)phenyl)butanamide (CAS 1037588-62-7) is a chemical compound with molecular formula C20H20F3N3O6S2 and molecular weight 519.0746 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-4-methylsulfanyl-N-[4-(trifluoromethoxy)phenyl]butanamide
Also Known As: 2-((3-Methyl-2-oxo-2,3-dihydrobenzo[d]oxazole)-6-sulfonamido)-4-(methylthio)-N-(4-(trifluoromethoxy)phenyl)butanamide, 2-(3-METHYL-2-OXO-2,3-DIHYDRO-1,3-BENZOXAZOLE-6-SULFONAMIDO)-4-(METHYLSULFANYL)-N-[4-(TRIFLUOROMETHOXY)PHENYL]BUTANAMIDE, 2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-4-methylsulfanyl-N-[4-(trifluoromethoxy)phenyl]butanamide
Technical Specifications
| Molecular Formula | C20H20F3N3O6S2 |
| Molecular Weight | 519.0746 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 148.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 519.0746 Da |
| Heavy Atoms | 34 |
| Complexity | 830.0 |
| SMILES | CN1C2=C(C=C(C=C2)S(=O)(=O)NC(CCSC)C(=O)NC3=CC=C(C=C3)OC(F)(F)F)OC1=O |
| InChIKey | NPKZUQXRNAPWBC-UHFFFAOYSA-N |
Chemical Property Profile of 2-((3-Methyl-2-oxo-2,3-dihydrobenzo[d]oxazole)-6-sulfonamido)-4-(methylthio)-N-(4-(trifluoromethoxy)phenyl)butanamide
Property Insights of 2-((3-Methyl-2-oxo-2,3-dihydrobenzo[d]oxazole)-6-sulfonamido)-4-(methylthio)-N-(4-(trifluoromethoxy)phenyl)butanamide
The XLogP value of 3.4 indicates that 2-((3-Methyl-2-oxo-2,3-dihydrobenzo[d]oxazole)-6-sulfonamido)-4-(methylthio)-N-(4-(trifluoromethoxy)phenyl)butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 148.0 Ų indicates high polarity, suggesting 2-((3-Methyl-2-oxo-2,3-dihydrobenzo[d]oxazole)-6-sulfonamido)-4-(methylthio)-N-(4-(trifluoromethoxy)phenyl)butanamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-((3-Methyl-2-oxo-2,3-dihydrobenzo[d]oxazole)-6-sulfonamido)-4-(methylthio)-N-(4-(trifluoromethoxy)phenyl)butanamide has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-((3-Methyl-2-oxo-2,3-dihydrobenzo[d]oxazole)-6-sulfonamido)-4-(methylthio)-N-(4-(trifluoromethoxy)phenyl)butanamide?
The CAS number of 2-((3-Methyl-2-oxo-2,3-dihydrobenzo[d]oxazole)-6-sulfonamido)-4-(methylthio)-N-(4-(trifluoromethoxy)phenyl)butanamide is 1037588-62-7.
What is the molecular formula of 2-((3-Methyl-2-oxo-2,3-dihydrobenzo[d]oxazole)-6-sulfonamido)-4-(methylthio)-N-(4-(trifluoromethoxy)phenyl)butanamide?
The molecular formula of 2-((3-Methyl-2-oxo-2,3-dihydrobenzo[d]oxazole)-6-sulfonamido)-4-(methylthio)-N-(4-(trifluoromethoxy)phenyl)butanamide is C20H20F3N3O6S2.
What is the molecular weight of 2-((3-Methyl-2-oxo-2,3-dihydrobenzo[d]oxazole)-6-sulfonamido)-4-(methylthio)-N-(4-(trifluoromethoxy)phenyl)butanamide?
The molecular weight of 2-((3-Methyl-2-oxo-2,3-dihydrobenzo[d]oxazole)-6-sulfonamido)-4-(methylthio)-N-(4-(trifluoromethoxy)phenyl)butanamide is 519.0746 g/mol.
Where can I buy 2-((3-Methyl-2-oxo-2,3-dihydrobenzo[d]oxazole)-6-sulfonamido)-4-(methylthio)-N-(4-(trifluoromethoxy)phenyl)butanamide?
You can request a quote for 2-((3-Methyl-2-oxo-2,3-dihydrobenzo[d]oxazole)-6-sulfonamido)-4-(methylthio)-N-(4-(trifluoromethoxy)phenyl)butanamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-((3-Methyl-2-oxo-2,3-dihydrobenzo[d]oxazole)-6-sulfonamido)-4-(methylthio)-N-(4-(trifluoromethoxy)phenyl)butanamide?
Yes, CoreyChem provides custom synthesis services for 2-((3-Methyl-2-oxo-2,3-dihydrobenzo[d]oxazole)-6-sulfonamido)-4-(methylthio)-N-(4-(trifluoromethoxy)phenyl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.