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

C22H24FN5O4S — CID 155464077

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

N-(2-cyclopropyltriazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide (PubChem CID 155464077) has the molecular formula C22H24FN5O4S and a molecular weight of 473.53 g/mol. Its IUPAC name is N-(2-cyclopropyltriazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide.

Molecular Properties

• Compound Name: N-(2-cyclopropyltriazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
• PubChem CID: 155464077
• Molecular Formula: C22H24FN5O4S
• Molecular Weight: 473.53 g/mol
• Exact Mass: 473.15
• IUPAC Name: N-(2-cyclopropyltriazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
• SMILES: COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cnn(C3CC3)n2)ccn1
• InChI: InChI=1S/C22H24FN5O4S/c1-13(2)17-9-15(23)10-18(14-6-7-24-21(8-14)32-3)19(17)11-20(29)27-33(30,31)22-12-25-28(26-22)16-4-5-16/h6-10,12-13,16H,4-5,11H2,1-3H3,(H,27,29)
• InChIKey: DNJJROPAGGBWFO-UHFFFAOYSA-N
• XLogP: 2.99
• TPSA: 116.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.53
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-(2-cyclopropyltriazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide (CID 155464077) is N-(2-cyclopropyltriazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide.

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

The canonical SMILES for N-(2-cyclopropyltriazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide is COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cnn(C3CC3)n2)ccn1.

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

The InChIKey is DNJJROPAGGBWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O4S/c1-13(2)17-9-15(23)10-18(14-6-7-24-21(8-14)32-3)19(17)11-20(29)27-33(30,31)22-12-25-28(26-22)16-4-5-16/h6-10,12-13,16H,4-5,11H2,1-3H3,(H,27,29).

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

N-(2-cyclopropyltriazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide has a molecular weight of 473.53 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-cyclopropyltriazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide is sourced from PubChem (CID 155464077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).