5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylamino]-2-methylbutan-2-yl]oxyethoxy]-3-methylbutyl]-2-methylbenzenesulfonamide

C36H50N4O8S2 — CID 123729542

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylamino]-2-methylbutan-2-yl]oxyethoxy]-3-methylbutyl]-2-methylbenzenesulfonamide

5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylamino]-2-methylbutan-2-yl]oxyethoxy]-3-methylbutyl]-2-methylbenzenesulfonamide (PubChem CID 123729542) has the molecular formula C36H50N4O8S2 and a molecular weight of 730.95 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylamino]-2-methylbutan-2-yl]oxyethoxy]-3-methylbutyl]-2-methylbenzenesulfonamide.

Molecular Properties

• Compound Name: 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylamino]-2-methylbutan-2-yl]oxyethoxy]-3-methylbutyl]-2-methylbenzenesulfonamide
• PubChem CID: 123729542
• Molecular Formula: C36H50N4O8S2
• Molecular Weight: 730.95 g/mol
• Exact Mass: 730.31
• IUPAC Name: 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylamino]-2-methylbutan-2-yl]oxyethoxy]-3-methylbutyl]-2-methylbenzenesulfonamide
• SMILES: Cc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)NCCC(C)(C)OCCOC(C)(C)CCNS(=O)(=O)c1cc(-c2c(C)noc2C)ccc1C
• InChI: InChI=1S/C36H50N4O8S2/c1-23-11-13-29(33-25(3)39-47-27(33)5)21-31(23)49(41,42)37-17-15-35(7,8)45-19-20-46-36(9,10)16-18-38-50(43,44)32-22-30(14-12-24(32)2)34-26(4)40-48-28(34)6/h11-14,21-22,37-38H,15-20H2,1-10H3
• InChIKey: CBZQBHNCXNMLET-UHFFFAOYSA-N
• XLogP: 6.47
• TPSA: 162.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 17
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	730.95
LogP ≤ 5	6.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylamino]-2-methylbutan-2-yl]oxyethoxy]-3-methylbutyl]-2-methylbenzenesulfonamide?

The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylamino]-2-methylbutan-2-yl]oxyethoxy]-3-methylbutyl]-2-methylbenzenesulfonamide (CID 123729542) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylamino]-2-methylbutan-2-yl]oxyethoxy]-3-methylbutyl]-2-methylbenzenesulfonamide.

What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylamino]-2-methylbutan-2-yl]oxyethoxy]-3-methylbutyl]-2-methylbenzenesulfonamide?

The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylamino]-2-methylbutan-2-yl]oxyethoxy]-3-methylbutyl]-2-methylbenzenesulfonamide is Cc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)NCCC(C)(C)OCCOC(C)(C)CCNS(=O)(=O)c1cc(-c2c(C)noc2C)ccc1C.

What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylamino]-2-methylbutan-2-yl]oxyethoxy]-3-methylbutyl]-2-methylbenzenesulfonamide?

The InChIKey is CBZQBHNCXNMLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H50N4O8S2/c1-23-11-13-29(33-25(3)39-47-27(33)5)21-31(23)49(41,42)37-17-15-35(7,8)45-19-20-46-36(9,10)16-18-38-50(43,44)32-22-30(14-12-24(32)2)34-26(4)40-48-28(34)6/h11-14,21-22,37-38H,15-20H2,1-10H3.

What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylamino]-2-methylbutan-2-yl]oxyethoxy]-3-methylbutyl]-2-methylbenzenesulfonamide?

5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylamino]-2-methylbutan-2-yl]oxyethoxy]-3-methylbutyl]-2-methylbenzenesulfonamide has a molecular weight of 730.95 g/mol, XLogP of 6.47, 17 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylamino]-2-methylbutan-2-yl]oxyethoxy]-3-methylbutyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 123729542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).