2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]acetamide

C25H24N4O6S — CID 4833486

About 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]acetamide

2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]acetamide (PubChem CID 4833486) has the molecular formula C25H24N4O6S and a molecular weight of 508.56 g/mol. Its IUPAC name is 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]acetamide.

Molecular Properties

• Compound Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]acetamide
• PubChem CID: 4833486
• Molecular Formula: C25H24N4O6S
• Molecular Weight: 508.56 g/mol
• Exact Mass: 508.14
• IUPAC Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]acetamide
• SMILES: CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c1
• InChI: InChI=1S/C25H24N4O6S/c1-3-29(17-9-5-4-6-10-17)36(33,34)18-13-14-22(35-2)21(15-18)26-23(30)16-28-25(32)20-12-8-7-11-19(20)24(31)27-28/h4-15H,3,16H2,1-2H3,(H,26,30)(H,27,31)
• InChIKey: IELPTQJYRADEPY-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 130.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.56
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]acetamide?

The IUPAC name of 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]acetamide (CID 4833486) is 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]acetamide.

What is the SMILES notation for 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]acetamide?

The canonical SMILES for 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]acetamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c1.

What is the InChIKey of 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]acetamide?

The InChIKey is IELPTQJYRADEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O6S/c1-3-29(17-9-5-4-6-10-17)36(33,34)18-13-14-22(35-2)21(15-18)26-23(30)16-28-25(32)20-12-8-7-11-19(20)24(31)27-28/h4-15H,3,16H2,1-2H3,(H,26,30)(H,27,31).

What are the key properties of 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]acetamide?

2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]acetamide has a molecular weight of 508.56 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]acetamide is sourced from PubChem (CID 4833486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).