4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethoxy]ethyl]benzenesulfonamide

C26H31N3O6S — CID 69008111

About 4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethoxy]ethyl]benzenesulfonamide

4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethoxy]ethyl]benzenesulfonamide (PubChem CID 69008111) has the molecular formula C26H31N3O6S and a molecular weight of 513.62 g/mol. Its IUPAC name is 4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethoxy]ethyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethoxy]ethyl]benzenesulfonamide
• PubChem CID: 69008111
• Molecular Formula: C26H31N3O6S
• Molecular Weight: 513.62 g/mol
• Exact Mass: 513.19
• IUPAC Name: 4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethoxy]ethyl]benzenesulfonamide
• SMILES: COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N2CCc3nc(-c4ccccc4)oc3C2)c(C)c1
• InChI: InChI=1S/C26H31N3O6S/c1-18-14-21(33-4)15-19(2)25(18)36(31,32)28(3)12-13-34-17-24(30)29-11-10-22-23(16-29)35-26(27-22)20-8-6-5-7-9-20/h5-9,14-15H,10-13,16-17H2,1-4H3
• InChIKey: UYVNEHPZADEKRJ-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 102.18 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.62
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethoxy]ethyl]benzenesulfonamide?

The IUPAC name of 4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethoxy]ethyl]benzenesulfonamide (CID 69008111) is 4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethoxy]ethyl]benzenesulfonamide.

What is the SMILES notation for 4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethoxy]ethyl]benzenesulfonamide?

The canonical SMILES for 4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethoxy]ethyl]benzenesulfonamide is COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N2CCc3nc(-c4ccccc4)oc3C2)c(C)c1.

What is the InChIKey of 4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethoxy]ethyl]benzenesulfonamide?

The InChIKey is UYVNEHPZADEKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O6S/c1-18-14-21(33-4)15-19(2)25(18)36(31,32)28(3)12-13-34-17-24(30)29-11-10-22-23(16-29)35-26(27-22)20-8-6-5-7-9-20/h5-9,14-15H,10-13,16-17H2,1-4H3.

What are the key properties of 4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethoxy]ethyl]benzenesulfonamide?

4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethoxy]ethyl]benzenesulfonamide has a molecular weight of 513.62 g/mol, XLogP of 3.19, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethoxy]ethyl]benzenesulfonamide is sourced from PubChem (CID 69008111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).