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

C26H44N4O5S — CID 11341448

IUPAC4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]ethoxy]ethyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N2CCC(N3CCN(C(C)C)CC3)CC2)c(C)c1
InChIInChI=1S/C26H44N4O5S/c1-20(2)28-11-13-29(14-12-28)23-7-9-30(10-8-23)25(31)19-35-16-15-27(5)36(32,33)26-21(3)17-24(34-6)18-22(26)4/h17-18,20,23H,7-16,19H2,1-6H3
InChIKeyWSYQNYXLJPPHSY-UHFFFAOYSA-N
MW524.73 g/mol
LogP1.97
Rot. Bonds10

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

4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]ethoxy]ethyl]benzenesulfonamide (PubChem CID 11341448) has the molecular formula C26H44N4O5S and a molecular weight of 524.73 g/mol. Its IUPAC name is 4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]ethoxy]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]ethoxy]ethyl]benzenesulfonamide
PubChem CID11341448
Molecular FormulaC26H44N4O5S
Molecular Weight524.73 g/mol
Exact Mass524.30
IUPAC Name4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]ethoxy]ethyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N2CCC(N3CCN(C(C)C)CC3)CC2)c(C)c1
InChIInChI=1S/C26H44N4O5S/c1-20(2)28-11-13-29(14-12-28)23-7-9-30(10-8-23)25(31)19-35-16-15-27(5)36(32,33)26-21(3)17-24(34-6)18-22(26)4/h17-18,20,23H,7-16,19H2,1-6H3
InChIKeyWSYQNYXLJPPHSY-UHFFFAOYSA-N
XLogP1.97
TPSA82.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.73
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]ethoxy]ethyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]ethoxy]ethyl]benzenesulfonamide (CID 11341448) is 4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-[4-(4-propan-2-ylpiperazin-1-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-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]ethoxy]ethyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]ethoxy]ethyl]benzenesulfonamide is COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N2CCC(N3CCN(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-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]ethoxy]ethyl]benzenesulfonamide?
The InChIKey is WSYQNYXLJPPHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44N4O5S/c1-20(2)28-11-13-29(14-12-28)23-7-9-30(10-8-23)25(31)19-35-16-15-27(5)36(32,33)26-21(3)17-24(34-6)18-22(26)4/h17-18,20,23H,7-16,19H2,1-6H3.
What are the key properties of 4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]ethoxy]ethyl]benzenesulfonamide?
4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]ethoxy]ethyl]benzenesulfonamide has a molecular weight of 524.73 g/mol, XLogP of 1.97, 10 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-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]ethoxy]ethyl]benzenesulfonamide is sourced from PubChem (CID 11341448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).