4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)piperazin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide

About 4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)piperazin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide

4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)piperazin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide (PubChem CID 68869570) has the molecular formula C26H42N4O5S and a molecular weight of 522.71 g/mol. Its IUPAC name is 4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)piperazin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name	4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)piperazin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide
PubChem CID	68869570
Molecular Formula	C26H42N4O5S
Molecular Weight	522.71 g/mol
Exact Mass	522.29
IUPAC Name	4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)piperazin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide
SMILES	COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N2CCN(C3CC4CCC(C3)N4C)CC2)c(C)c1
InChI	InChI=1S/C26H42N4O5S/c1-19-14-24(34-5)15-20(2)26(19)36(32,33)27(3)12-13-35-18-25(31)30-10-8-29(9-11-30)23-16-21-6-7-22(17-23)28(21)4/h14-15,21-23H,6-13,16-18H2,1-5H3
InChIKey	RJCKXVIRXLYMSH-UHFFFAOYSA-N
XLogP	1.72
TPSA	82.63 Å²
H-Bond Donors
H-Bond Acceptors	7
Rotatable Bonds	9
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.71
LogP ≤ 5	1.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)piperazin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide?

The IUPAC name of 4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)piperazin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide (CID 68869570) is 4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)piperazin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide.

What is the SMILES notation for 4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)piperazin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide?

The canonical SMILES for 4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)piperazin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide is COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N2CCN(C3CC4CCC(C3)N4C)CC2)c(C)c1.

What is the InChIKey of 4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)piperazin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide?

The InChIKey is RJCKXVIRXLYMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N4O5S/c1-19-14-24(34-5)15-20(2)26(19)36(32,33)27(3)12-13-35-18-25(31)30-10-8-29(9-11-30)23-16-21-6-7-22(17-23)28(21)4/h14-15,21-23H,6-13,16-18H2,1-5H3.

What are the key properties of 4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)piperazin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide?

4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)piperazin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide has a molecular weight of 522.71 g/mol, XLogP of 1.72, 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-[4-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)piperazin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide is sourced from PubChem (CID 68869570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).