6-(2-tert-butylphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen

C31H37N3O4S — CID 167644811

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

6-(2-tert-butylphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen (PubChem CID 167644811) has the molecular formula C31H37N3O4S and a molecular weight of 547.72 g/mol. Its IUPAC name is 6-(2-tert-butylphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 6-(2-tert-butylphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen
• PubChem CID: 167644811
• Molecular Formula: C31H37N3O4S
• Molecular Weight: 547.72 g/mol
• Exact Mass: 547.25
• IUPAC Name: 6-(2-tert-butylphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen
• SMILES: Cc1cc(C)c(Oc2nc(-c3ccccc3C(C)(C)C)ccc2C(=O)NS(=O)(=O)c2cccc(C)n2)c(C)c1.[H][H].[H][H]
• InChI: InChI=1S/C31H33N3O4S.2H2/c1-19-17-20(2)28(21(3)18-19)38-30-24(29(35)34-39(36,37)27-14-10-11-22(4)32-27)15-16-26(33-30)23-12-8-9-13-25(23)31(5,6)7;;/h8-18H,1-7H3,(H,34,35);2*1H
• InChIKey: PSBRPVWFPQXKQC-UHFFFAOYSA-N
• XLogP: 7.08
• TPSA: 98.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	547.72
LogP ≤ 5	7.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6-(2-tert-butylphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen (CID 167644811) is 6-(2-tert-butylphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen.

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

The canonical SMILES for 6-(2-tert-butylphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen is Cc1cc(C)c(Oc2nc(-c3ccccc3C(C)(C)C)ccc2C(=O)NS(=O)(=O)c2cccc(C)n2)c(C)c1.[H][H].[H][H].

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

The InChIKey is PSBRPVWFPQXKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N3O4S.2H2/c1-19-17-20(2)28(21(3)18-19)38-30-24(29(35)34-39(36,37)27-14-10-11-22(4)32-27)15-16-26(33-30)23-12-8-9-13-25(23)31(5,6)7;;/h8-18H,1-7H3,(H,34,35);2*1H.

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

6-(2-tert-butylphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen has a molecular weight of 547.72 g/mol, XLogP of 7.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-tert-butylphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 167644811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).