2-(2,4-dimethylphenoxy)-6-(4-methylphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen

C27H29N3O4S — CID 158064362

About 2-(2,4-dimethylphenoxy)-6-(4-methylphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen

2-(2,4-dimethylphenoxy)-6-(4-methylphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen (PubChem CID 158064362) has the molecular formula C27H29N3O4S and a molecular weight of 491.61 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-6-(4-methylphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 2-(2,4-dimethylphenoxy)-6-(4-methylphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen
• PubChem CID: 158064362
• Molecular Formula: C27H29N3O4S
• Molecular Weight: 491.61 g/mol
• Exact Mass: 491.19
• IUPAC Name: 2-(2,4-dimethylphenoxy)-6-(4-methylphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen
• SMILES: Cc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(C)n3)c(Oc3ccc(C)cc3C)n2)cc1.[H][H].[H][H]
• InChI: InChI=1S/C27H25N3O4S.2H2/c1-17-8-11-21(12-9-17)23-14-13-22(27(29-23)34-24-15-10-18(2)16-19(24)3)26(31)30-35(32,33)25-7-5-6-20(4)28-25;;/h5-16H,1-4H3,(H,30,31);2*1H
• InChIKey: FLASPNRVKGELNZ-UHFFFAOYSA-N
• XLogP: 5.78
• TPSA: 98.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.61
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-6-(4-methylphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen?

The IUPAC name of 2-(2,4-dimethylphenoxy)-6-(4-methylphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen (CID 158064362) is 2-(2,4-dimethylphenoxy)-6-(4-methylphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen.

What is the SMILES notation for 2-(2,4-dimethylphenoxy)-6-(4-methylphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen?

The canonical SMILES for 2-(2,4-dimethylphenoxy)-6-(4-methylphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen is Cc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(C)n3)c(Oc3ccc(C)cc3C)n2)cc1.[H][H].[H][H].

What is the InChIKey of 2-(2,4-dimethylphenoxy)-6-(4-methylphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen?

The InChIKey is FLASPNRVKGELNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O4S.2H2/c1-17-8-11-21(12-9-17)23-14-13-22(27(29-23)34-24-15-10-18(2)16-19(24)3)26(31)30-35(32,33)25-7-5-6-20(4)28-25;;/h5-16H,1-4H3,(H,30,31);2*1H.

What are the key properties of 2-(2,4-dimethylphenoxy)-6-(4-methylphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen?

2-(2,4-dimethylphenoxy)-6-(4-methylphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen has a molecular weight of 491.61 g/mol, XLogP of 5.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-dimethylphenoxy)-6-(4-methylphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 158064362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).