4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]ethoxy]ethyl]benzenesulfonamide

C27H45N3O5S — CID 11283865

About 4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]ethoxy]ethyl]benzenesulfonamide

4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]ethoxy]ethyl]benzenesulfonamide (PubChem CID 11283865) has the molecular formula C27H45N3O5S and a molecular weight of 523.74 g/mol. Its IUPAC name is 4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]ethoxy]ethyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]ethoxy]ethyl]benzenesulfonamide
• PubChem CID: 11283865
• Molecular Formula: C27H45N3O5S
• Molecular Weight: 523.74 g/mol
• Exact Mass: 523.31
• IUPAC Name: 4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]ethoxy]ethyl]benzenesulfonamide
• SMILES: COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N2CCC(C3CCN(C(C)C)CC3)CC2)c(C)c1
• InChI: InChI=1S/C27H45N3O5S/c1-20(2)29-11-7-23(8-12-29)24-9-13-30(14-10-24)26(31)19-35-16-15-28(5)36(32,33)27-21(3)17-25(34-6)18-22(27)4/h17-18,20,23-24H,7-16,19H2,1-6H3
• InChIKey: JZLHLOGTQFLDMU-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 79.39 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.74
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]ethoxy]ethyl]benzenesulfonamide?

The IUPAC name of 4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]ethoxy]ethyl]benzenesulfonamide (CID 11283865) is 4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]ethoxy]ethyl]benzenesulfonamide.

What is the SMILES notation for 4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]ethoxy]ethyl]benzenesulfonamide?

The canonical SMILES for 4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]ethoxy]ethyl]benzenesulfonamide is COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N2CCC(C3CCN(C(C)C)CC3)CC2)c(C)c1.

What is the InChIKey of 4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]ethoxy]ethyl]benzenesulfonamide?

The InChIKey is JZLHLOGTQFLDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H45N3O5S/c1-20(2)29-11-7-23(8-12-29)24-9-13-30(14-10-24)26(31)19-35-16-15-28(5)36(32,33)27-21(3)17-25(34-6)18-22(27)4/h17-18,20,23-24H,7-16,19H2,1-6H3.

What are the key properties of 4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]ethoxy]ethyl]benzenesulfonamide?

4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]ethoxy]ethyl]benzenesulfonamide has a molecular weight of 523.74 g/mol, XLogP of 3.31, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]ethoxy]ethyl]benzenesulfonamide is sourced from PubChem (CID 11283865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).