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

C34H30FN3O5S — CID 158455278

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

6-(2-fluoro-4-phenylmethoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (PubChem CID 158455278) has the molecular formula C34H30FN3O5S and a molecular weight of 611.70 g/mol. Its IUPAC name is 6-(2-fluoro-4-phenylmethoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(2-fluoro-4-phenylmethoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
• PubChem CID: 158455278
• Molecular Formula: C34H30FN3O5S
• Molecular Weight: 611.70 g/mol
• Exact Mass: 611.19
• IUPAC Name: 6-(2-fluoro-4-phenylmethoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
• SMILES: Cc1cc(C)c(Oc2nc(-c3ccc(OCc4ccccc4)cc3F)ccc2C(=O)NS(=O)(=O)c2cccc(C)n2)c(C)c1
• InChI: InChI=1S/C34H30FN3O5S/c1-21-17-22(2)32(23(3)18-21)43-34-28(33(39)38-44(40,41)31-12-8-9-24(4)36-31)15-16-30(37-34)27-14-13-26(19-29(27)35)42-20-25-10-6-5-7-11-25/h5-19H,20H2,1-4H3,(H,38,39)
• InChIKey: WKNLOYQAHRIMKF-UHFFFAOYSA-N
• XLogP: 7.01
• TPSA: 107.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	611.70
LogP ≤ 5	7.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-4-phenylmethoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?

The IUPAC name of 6-(2-fluoro-4-phenylmethoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (CID 158455278) is 6-(2-fluoro-4-phenylmethoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.

What is the SMILES notation for 6-(2-fluoro-4-phenylmethoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?

The canonical SMILES for 6-(2-fluoro-4-phenylmethoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is Cc1cc(C)c(Oc2nc(-c3ccc(OCc4ccccc4)cc3F)ccc2C(=O)NS(=O)(=O)c2cccc(C)n2)c(C)c1.

What is the InChIKey of 6-(2-fluoro-4-phenylmethoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?

The InChIKey is WKNLOYQAHRIMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30FN3O5S/c1-21-17-22(2)32(23(3)18-21)43-34-28(33(39)38-44(40,41)31-12-8-9-24(4)36-31)15-16-30(37-34)27-14-13-26(19-29(27)35)42-20-25-10-6-5-7-11-25/h5-19H,20H2,1-4H3,(H,38,39).

What are the key properties of 6-(2-fluoro-4-phenylmethoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?

6-(2-fluoro-4-phenylmethoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide has a molecular weight of 611.70 g/mol, XLogP of 7.01, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-fluoro-4-phenylmethoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 158455278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).