2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]sulfonyl]acetamide

C25H28FN3O5S — CID 155463759

About 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]sulfonyl]acetamide

2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]sulfonyl]acetamide (PubChem CID 155463759) has the molecular formula C25H28FN3O5S and a molecular weight of 501.58 g/mol. Its IUPAC name is 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]sulfonyl]acetamide.

Molecular Properties

• Compound Name: 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]sulfonyl]acetamide
• PubChem CID: 155463759
• Molecular Formula: C25H28FN3O5S
• Molecular Weight: 501.58 g/mol
• Exact Mass: 501.17
• IUPAC Name: 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]sulfonyl]acetamide
• SMILES: COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cc(C(C)(C)O)ccn2)ccn1
• InChI: InChI=1S/C25H28FN3O5S/c1-15(2)19-12-18(26)13-20(16-6-8-27-23(10-16)34-5)21(19)14-22(30)29-35(32,33)24-11-17(7-9-28-24)25(3,4)31/h6-13,15,31H,14H2,1-5H3,(H,29,30)
• InChIKey: SVUYCKGYDNRSEZ-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 118.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.58
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]sulfonyl]acetamide?

The IUPAC name of 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]sulfonyl]acetamide (CID 155463759) is 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]sulfonyl]acetamide.

What is the SMILES notation for 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]sulfonyl]acetamide?

The canonical SMILES for 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]sulfonyl]acetamide is COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cc(C(C)(C)O)ccn2)ccn1.

What is the InChIKey of 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]sulfonyl]acetamide?

The InChIKey is SVUYCKGYDNRSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O5S/c1-15(2)19-12-18(26)13-20(16-6-8-27-23(10-16)34-5)21(19)14-22(30)29-35(32,33)24-11-17(7-9-28-24)25(3,4)31/h6-13,15,31H,14H2,1-5H3,(H,29,30).

What are the key properties of 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]sulfonyl]acetamide?

2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]sulfonyl]acetamide has a molecular weight of 501.58 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]sulfonyl]acetamide is sourced from PubChem (CID 155463759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).