6-(3-ethoxy-5-fluorophenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide

C29H28FN3O5S — CID 161431241

IUPAC6-(3-ethoxy-5-fluorophenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
SMILESCCOc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(C)n3)c(Oc3c(C)cc(C)cc3C)n2)c1
InChIInChI=1S/C29H28FN3O5S/c1-6-37-23-15-21(14-22(30)16-23)25-11-10-24(28(34)33-39(35,36)26-9-7-8-20(5)31-26)29(32-25)38-27-18(3)12-17(2)13-19(27)4/h7-16H,6H2,1-5H3,(H,33,34)
InChIKeyXGEPLWUQJOVXSF-UHFFFAOYSA-N
MW549.62 g/mol
LogP5.83
Rot. Bonds8

About 6-(3-ethoxy-5-fluorophenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide

6-(3-ethoxy-5-fluorophenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (PubChem CID 161431241) has the molecular formula C29H28FN3O5S and a molecular weight of 549.62 g/mol. Its IUPAC name is 6-(3-ethoxy-5-fluorophenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-ethoxy-5-fluorophenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
PubChem CID161431241
Molecular FormulaC29H28FN3O5S
Molecular Weight549.62 g/mol
Exact Mass549.17
IUPAC Name6-(3-ethoxy-5-fluorophenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
SMILESCCOc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(C)n3)c(Oc3c(C)cc(C)cc3C)n2)c1
InChIInChI=1S/C29H28FN3O5S/c1-6-37-23-15-21(14-22(30)16-23)25-11-10-24(28(34)33-39(35,36)26-9-7-8-20(5)31-26)29(32-25)38-27-18(3)12-17(2)13-19(27)4/h7-16H,6H2,1-5H3,(H,33,34)
InChIKeyXGEPLWUQJOVXSF-UHFFFAOYSA-N
XLogP5.83
TPSA107.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.62
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(3-ethoxy-5-fluorophenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide with MolForge

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Related Compounds

2-(4-fluorophenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide
CID 78319528
2-(3-fluoro-4-methoxyphenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide
CID 78319555
2-(4-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide
CID 78319556
2-(2-fluoro-4-methoxyphenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide
CID 78319589
2-(4-fluoro-2-methylphenoxy)-N-[4-[(3-fluoro-2-methylphenyl)sulfamoyl]phenyl]quinoline-3-carboxamide
CID 90332266
2-(4-fluoro-2-methylphenoxy)-N-[3-fluoro-2-(methylsulfamoyl)phenyl]quinoline-3-carboxamide
CID 118522068
2-(4-fluoro-2-methylphenoxy)-N-(4-fluoro-2-methyl-3-sulfamoylphenyl)quinoline-3-carboxamide
CID 118522069
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(oxetan-3-yloxy)pyridine-3-carboxamide
CID 121250445
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(3-methylcyclopentyl)oxypyridine-3-carboxamide
CID 121250478
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-fluorophenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 121250492
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(7-fluoro-1,3-benzodioxol-4-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 121250494
6-(4-ethoxy-3-fluorophenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 121250495

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethoxy-5-fluorophenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The IUPAC name of 6-(3-ethoxy-5-fluorophenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (CID 161431241) is 6-(3-ethoxy-5-fluorophenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-ethoxy-5-fluorophenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The canonical SMILES for 6-(3-ethoxy-5-fluorophenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is CCOc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(C)n3)c(Oc3c(C)cc(C)cc3C)n2)c1.
What is the InChIKey of 6-(3-ethoxy-5-fluorophenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The InChIKey is XGEPLWUQJOVXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28FN3O5S/c1-6-37-23-15-21(14-22(30)16-23)25-11-10-24(28(34)33-39(35,36)26-9-7-8-20(5)31-26)29(32-25)38-27-18(3)12-17(2)13-19(27)4/h7-16H,6H2,1-5H3,(H,33,34).
What are the key properties of 6-(3-ethoxy-5-fluorophenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
6-(3-ethoxy-5-fluorophenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide has a molecular weight of 549.62 g/mol, XLogP of 5.83, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethoxy-5-fluorophenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 161431241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).