2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[[1-(1-methyl-2H-pyridin-4-yl)piperidin-4-yl]methyl]acetamide

C27H42N4O5S — CID 68644127

IUPAC2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[[1-(1-methyl-2H-pyridin-4-yl)piperidin-4-yl]methyl]acetamide
SMILESCOc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N(C)CC2CCN(C3=CCN(C)C=C3)CC2)c(C)c1
InChIInChI=1S/C27H42N4O5S/c1-21-17-25(35-6)18-22(2)27(21)37(33,34)30(5)15-16-36-20-26(32)29(4)19-23-7-13-31(14-8-23)24-9-11-28(3)12-10-24/h9-11,17-18,23H,7-8,12-16,19-20H2,1-6H3
InChIKeyGZIDOXVWDWZVBJ-UHFFFAOYSA-N
MW534.72 g/mol
LogP2.46
Rot. Bonds11

About 2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[[1-(1-methyl-2H-pyridin-4-yl)piperidin-4-yl]methyl]acetamide

2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[[1-(1-methyl-2H-pyridin-4-yl)piperidin-4-yl]methyl]acetamide (PubChem CID 68644127) has the molecular formula C27H42N4O5S and a molecular weight of 534.72 g/mol. Its IUPAC name is 2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[[1-(1-methyl-2H-pyridin-4-yl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[[1-(1-methyl-2H-pyridin-4-yl)piperidin-4-yl]methyl]acetamide
PubChem CID68644127
Molecular FormulaC27H42N4O5S
Molecular Weight534.72 g/mol
Exact Mass534.29
IUPAC Name2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[[1-(1-methyl-2H-pyridin-4-yl)piperidin-4-yl]methyl]acetamide
SMILESCOc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N(C)CC2CCN(C3=CCN(C)C=C3)CC2)c(C)c1
InChIInChI=1S/C27H42N4O5S/c1-21-17-25(35-6)18-22(2)27(21)37(33,34)30(5)15-16-36-20-26(32)29(4)19-23-7-13-31(14-8-23)24-9-11-28(3)12-10-24/h9-11,17-18,23H,7-8,12-16,19-20H2,1-6H3
InChIKeyGZIDOXVWDWZVBJ-UHFFFAOYSA-N
XLogP2.46
TPSA82.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.72
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[[1-(1-methyl-2H-pyridin-4-yl)piperidin-4-yl]methyl]acetamide 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 2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[[1-(1-methyl-2H-pyridin-4-yl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[[1-(1-methyl-2H-pyridin-4-yl)piperidin-4-yl]methyl]acetamide (CID 68644127) is 2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[[1-(1-methyl-2H-pyridin-4-yl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[[1-(1-methyl-2H-pyridin-4-yl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[[1-(1-methyl-2H-pyridin-4-yl)piperidin-4-yl]methyl]acetamide is COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N(C)CC2CCN(C3=CCN(C)C=C3)CC2)c(C)c1.
What is the InChIKey of 2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[[1-(1-methyl-2H-pyridin-4-yl)piperidin-4-yl]methyl]acetamide?
The InChIKey is GZIDOXVWDWZVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42N4O5S/c1-21-17-25(35-6)18-22(2)27(21)37(33,34)30(5)15-16-36-20-26(32)29(4)19-23-7-13-31(14-8-23)24-9-11-28(3)12-10-24/h9-11,17-18,23H,7-8,12-16,19-20H2,1-6H3.
What are the key properties of 2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[[1-(1-methyl-2H-pyridin-4-yl)piperidin-4-yl]methyl]acetamide?
2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[[1-(1-methyl-2H-pyridin-4-yl)piperidin-4-yl]methyl]acetamide has a molecular weight of 534.72 g/mol, XLogP of 2.46, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[[1-(1-methyl-2H-pyridin-4-yl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 68644127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).