N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrazin-2-ylpyrimidin-4-yl]-2-phenylethanesulfonamide

C25H25N5O6S — CID 23548261

About N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrazin-2-ylpyrimidin-4-yl]-2-phenylethanesulfonamide

N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrazin-2-ylpyrimidin-4-yl]-2-phenylethanesulfonamide (PubChem CID 23548261) has the molecular formula C25H25N5O6S and a molecular weight of 523.57 g/mol. Its IUPAC name is N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrazin-2-ylpyrimidin-4-yl]-2-phenylethanesulfonamide.

Molecular Properties

• Compound Name: N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrazin-2-ylpyrimidin-4-yl]-2-phenylethanesulfonamide
• PubChem CID: 23548261
• Molecular Formula: C25H25N5O6S
• Molecular Weight: 523.57 g/mol
• Exact Mass: 523.15
• IUPAC Name: N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrazin-2-ylpyrimidin-4-yl]-2-phenylethanesulfonamide
• SMILES: COc1ccccc1Oc1c(NS(=O)(=O)CCc2ccccc2)nc(-c2cnccn2)nc1OCCO
• InChI: InChI=1S/C25H25N5O6S/c1-34-20-9-5-6-10-21(20)36-22-24(30-37(32,33)16-11-18-7-3-2-4-8-18)28-23(19-17-26-12-13-27-19)29-25(22)35-15-14-31/h2-10,12-13,17,31H,11,14-16H2,1H3,(H,28,29,30)
• InChIKey: FCIPFLXSKSJSBQ-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 145.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.57
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrazin-2-ylpyrimidin-4-yl]-2-phenylethanesulfonamide?

The IUPAC name of N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrazin-2-ylpyrimidin-4-yl]-2-phenylethanesulfonamide (CID 23548261) is N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrazin-2-ylpyrimidin-4-yl]-2-phenylethanesulfonamide.

What is the SMILES notation for N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrazin-2-ylpyrimidin-4-yl]-2-phenylethanesulfonamide?

The canonical SMILES for N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrazin-2-ylpyrimidin-4-yl]-2-phenylethanesulfonamide is COc1ccccc1Oc1c(NS(=O)(=O)CCc2ccccc2)nc(-c2cnccn2)nc1OCCO.

What is the InChIKey of N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrazin-2-ylpyrimidin-4-yl]-2-phenylethanesulfonamide?

The InChIKey is FCIPFLXSKSJSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O6S/c1-34-20-9-5-6-10-21(20)36-22-24(30-37(32,33)16-11-18-7-3-2-4-8-18)28-23(19-17-26-12-13-27-19)29-25(22)35-15-14-31/h2-10,12-13,17,31H,11,14-16H2,1H3,(H,28,29,30).

What are the key properties of N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrazin-2-ylpyrimidin-4-yl]-2-phenylethanesulfonamide?

N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrazin-2-ylpyrimidin-4-yl]-2-phenylethanesulfonamide has a molecular weight of 523.57 g/mol, XLogP of 3.09, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrazin-2-ylpyrimidin-4-yl]-2-phenylethanesulfonamide is sourced from PubChem (CID 23548261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).