N-[2-[2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-2-oxoethoxy]ethyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide

C25H42N4O5S — CID 11352746

About N-[2-[2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-2-oxoethoxy]ethyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide

N-[2-[2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-2-oxoethoxy]ethyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide (PubChem CID 11352746) has the molecular formula C25H42N4O5S and a molecular weight of 510.70 g/mol. Its IUPAC name is N-[2-[2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-2-oxoethoxy]ethyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide.

Molecular Properties

• Compound Name: N-[2-[2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-2-oxoethoxy]ethyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide
• PubChem CID: 11352746
• Molecular Formula: C25H42N4O5S
• Molecular Weight: 510.70 g/mol
• Exact Mass: 510.29
• IUPAC Name: N-[2-[2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-2-oxoethoxy]ethyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide
• SMILES: CCN1CCC(N2CCN(C(=O)COCCN(C)S(=O)(=O)c3c(C)cc(OC)cc3C)CC2)CC1
• InChI: InChI=1S/C25H42N4O5S/c1-6-27-9-7-22(8-10-27)28-11-13-29(14-12-28)24(30)19-34-16-15-26(4)35(31,32)25-20(2)17-23(33-5)18-21(25)3/h17-18,22H,6-16,19H2,1-5H3
• InChIKey: JSFAFOKZBIWGQJ-UHFFFAOYSA-N
• XLogP: 1.58
• TPSA: 82.63 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.70
LogP ≤ 5	1.58
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 N-[2-[2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-2-oxoethoxy]ethyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide?

The IUPAC name of N-[2-[2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-2-oxoethoxy]ethyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide (CID 11352746) is N-[2-[2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-2-oxoethoxy]ethyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide.

What is the SMILES notation for N-[2-[2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-2-oxoethoxy]ethyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide?

The canonical SMILES for N-[2-[2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-2-oxoethoxy]ethyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide is CCN1CCC(N2CCN(C(=O)COCCN(C)S(=O)(=O)c3c(C)cc(OC)cc3C)CC2)CC1.

What is the InChIKey of N-[2-[2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-2-oxoethoxy]ethyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide?

The InChIKey is JSFAFOKZBIWGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N4O5S/c1-6-27-9-7-22(8-10-27)28-11-13-29(14-12-28)24(30)19-34-16-15-26(4)35(31,32)25-20(2)17-23(33-5)18-21(25)3/h17-18,22H,6-16,19H2,1-5H3.

What are the key properties of N-[2-[2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-2-oxoethoxy]ethyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide?

N-[2-[2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-2-oxoethoxy]ethyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide has a molecular weight of 510.70 g/mol, XLogP of 1.58, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-2-oxoethoxy]ethyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 11352746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).