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

C28H27N3O5S — CID 158748509

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-(4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(C)n3)c(Oc3c(C)cc(C)cc3C)n2)cc1
InChIInChI=1S/C28H27N3O5S/c1-17-15-18(2)26(19(3)16-17)36-28-23(13-14-24(30-28)21-9-11-22(35-5)12-10-21)27(32)31-37(33,34)25-8-6-7-20(4)29-25/h6-16H,1-5H3,(H,31,32)
InChIKeyIVUFPLZALJIEOF-UHFFFAOYSA-N
MW517.61 g/mol
LogP5.30
Rot. Bonds7

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

6-(4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (PubChem CID 158748509) has the molecular formula C28H27N3O5S and a molecular weight of 517.61 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
PubChem CID158748509
Molecular FormulaC28H27N3O5S
Molecular Weight517.61 g/mol
Exact Mass517.17
IUPAC Name6-(4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(C)n3)c(Oc3c(C)cc(C)cc3C)n2)cc1
InChIInChI=1S/C28H27N3O5S/c1-17-15-18(2)26(19(3)16-17)36-28-23(13-14-24(30-28)21-9-11-22(35-5)12-10-21)27(32)31-37(33,34)25-8-6-7-20(4)29-25/h6-16H,1-5H3,(H,31,32)
InChIKeyIVUFPLZALJIEOF-UHFFFAOYSA-N
XLogP5.30
TPSA107.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.61
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The IUPAC name of 6-(4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (CID 158748509) is 6-(4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The canonical SMILES for 6-(4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is COc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(C)n3)c(Oc3c(C)cc(C)cc3C)n2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The InChIKey is IVUFPLZALJIEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O5S/c1-17-15-18(2)26(19(3)16-17)36-28-23(13-14-24(30-28)21-9-11-22(35-5)12-10-21)27(32)31-37(33,34)25-8-6-7-20(4)29-25/h6-16H,1-5H3,(H,31,32).
What are the key properties of 6-(4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
6-(4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide has a molecular weight of 517.61 g/mol, XLogP of 5.30, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 158748509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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