N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide

C25H24N6O5S — CID 121063854

About N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide

N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide (PubChem CID 121063854) has the molecular formula C25H24N6O5S and a molecular weight of 520.57 g/mol. Its IUPAC name is N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide
• PubChem CID: 121063854
• Molecular Formula: C25H24N6O5S
• Molecular Weight: 520.57 g/mol
• Exact Mass: 520.15
• IUPAC Name: N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide
• SMILES: COc1ccc(-c2cc(=O)n(CC(=O)Nc3ccc(S(=O)(=O)Nc4cc(C)nc(C)n4)cc3)cn2)cc1
• InChI: InChI=1S/C25H24N6O5S/c1-16-12-23(28-17(2)27-16)30-37(34,35)21-10-6-19(7-11-21)29-24(32)14-31-15-26-22(13-25(31)33)18-4-8-20(36-3)9-5-18/h4-13,15H,14H2,1-3H3,(H,29,32)(H,27,28,30)
• InChIKey: QLLFWIILYOXTJI-UHFFFAOYSA-N
• XLogP: 2.77
• TPSA: 145.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.57
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide?

The IUPAC name of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide (CID 121063854) is N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide.

What is the SMILES notation for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide?

The canonical SMILES for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide is COc1ccc(-c2cc(=O)n(CC(=O)Nc3ccc(S(=O)(=O)Nc4cc(C)nc(C)n4)cc3)cn2)cc1.

What is the InChIKey of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide?

The InChIKey is QLLFWIILYOXTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O5S/c1-16-12-23(28-17(2)27-16)30-37(34,35)21-10-6-19(7-11-21)29-24(32)14-31-15-26-22(13-25(31)33)18-4-8-20(36-3)9-5-18/h4-13,15H,14H2,1-3H3,(H,29,32)(H,27,28,30).

What are the key properties of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide?

N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide has a molecular weight of 520.57 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide is sourced from PubChem (CID 121063854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).