N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide

C23H25FN4O6S — CID 155411178

About N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide

N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide (PubChem CID 155411178) has the molecular formula C23H25FN4O6S and a molecular weight of 504.54 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide.

Molecular Properties

• Compound Name: N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
• PubChem CID: 155411178
• Molecular Formula: C23H25FN4O6S
• Molecular Weight: 504.54 g/mol
• Exact Mass: 504.15
• IUPAC Name: N-(1,3-dimethyl-2,4-dioxopyrimidin-5-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)c2cn(C)c(=O)n(C)c2=O)ccn1
• InChI: InChI=1S/C23H25FN4O6S/c1-13(2)16-9-15(24)10-17(14-6-7-25-21(8-14)34-5)18(16)11-20(29)26-35(32,33)19-12-27(3)23(31)28(4)22(19)30/h6-10,12-13H,11H2,1-5H3,(H,26,29)
• InChIKey: PUONOHUNIGUEPN-UHFFFAOYSA-N
• XLogP: 1.46
• TPSA: 129.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.54
LogP ≤ 5	1.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?

The IUPAC name of N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide (CID 155411178) is N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide.

What is the SMILES notation for N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?

The canonical SMILES for N-(1,3-dimethyl-2,4-dioxopyrimidin-5-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)c2cn(C)c(=O)n(C)c2=O)ccn1.

What is the InChIKey of N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?

The InChIKey is PUONOHUNIGUEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O6S/c1-13(2)16-9-15(24)10-17(14-6-7-25-21(8-14)34-5)18(16)11-20(29)26-35(32,33)19-12-27(3)23(31)28(4)22(19)30/h6-10,12-13H,11H2,1-5H3,(H,26,29).

What are the key properties of N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?

N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide has a molecular weight of 504.54 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide is sourced from PubChem (CID 155411178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).