N-[6-[2-(ethylsulfonylamino)ethoxy]-5-(2-methoxyphenoxy)-2-pyridin-2-ylpyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide

C28H32N6O7S2 — CID 18184202

About N-[6-[2-(ethylsulfonylamino)ethoxy]-5-(2-methoxyphenoxy)-2-pyridin-2-ylpyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide

N-[6-[2-(ethylsulfonylamino)ethoxy]-5-(2-methoxyphenoxy)-2-pyridin-2-ylpyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide (PubChem CID 18184202) has the molecular formula C28H32N6O7S2 and a molecular weight of 628.73 g/mol. Its IUPAC name is N-[6-[2-(ethylsulfonylamino)ethoxy]-5-(2-methoxyphenoxy)-2-pyridin-2-ylpyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide.

Molecular Properties

• Compound Name: N-[6-[2-(ethylsulfonylamino)ethoxy]-5-(2-methoxyphenoxy)-2-pyridin-2-ylpyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide
• PubChem CID: 18184202
• Molecular Formula: C28H32N6O7S2
• Molecular Weight: 628.73 g/mol
• Exact Mass: 628.18
• IUPAC Name: N-[6-[2-(ethylsulfonylamino)ethoxy]-5-(2-methoxyphenoxy)-2-pyridin-2-ylpyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide
• SMILES: CCS(=O)(=O)NCCOc1nc(-c2ccccn2)nc(NS(=O)(=O)c2ccc(C(C)C)cn2)c1Oc1ccccc1OC
• InChI: InChI=1S/C28H32N6O7S2/c1-5-42(35,36)31-16-17-40-28-25(41-23-12-7-6-11-22(23)39-4)27(32-26(33-28)21-10-8-9-15-29-21)34-43(37,38)24-14-13-20(18-30-24)19(2)3/h6-15,18-19,31H,5,16-17H2,1-4H3,(H,32,33,34)
• InChIKey: VGECFIVKYCQCRK-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 171.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 14
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	628.73
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(ethylsulfonylamino)ethoxy]-5-(2-methoxyphenoxy)-2-pyridin-2-ylpyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide?

The IUPAC name of N-[6-[2-(ethylsulfonylamino)ethoxy]-5-(2-methoxyphenoxy)-2-pyridin-2-ylpyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide (CID 18184202) is N-[6-[2-(ethylsulfonylamino)ethoxy]-5-(2-methoxyphenoxy)-2-pyridin-2-ylpyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide.

What is the SMILES notation for N-[6-[2-(ethylsulfonylamino)ethoxy]-5-(2-methoxyphenoxy)-2-pyridin-2-ylpyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide?

The canonical SMILES for N-[6-[2-(ethylsulfonylamino)ethoxy]-5-(2-methoxyphenoxy)-2-pyridin-2-ylpyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide is CCS(=O)(=O)NCCOc1nc(-c2ccccn2)nc(NS(=O)(=O)c2ccc(C(C)C)cn2)c1Oc1ccccc1OC.

What is the InChIKey of N-[6-[2-(ethylsulfonylamino)ethoxy]-5-(2-methoxyphenoxy)-2-pyridin-2-ylpyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide?

The InChIKey is VGECFIVKYCQCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O7S2/c1-5-42(35,36)31-16-17-40-28-25(41-23-12-7-6-11-22(23)39-4)27(32-26(33-28)21-10-8-9-15-29-21)34-43(37,38)24-14-13-20(18-30-24)19(2)3/h6-15,18-19,31H,5,16-17H2,1-4H3,(H,32,33,34).

What are the key properties of N-[6-[2-(ethylsulfonylamino)ethoxy]-5-(2-methoxyphenoxy)-2-pyridin-2-ylpyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide?

N-[6-[2-(ethylsulfonylamino)ethoxy]-5-(2-methoxyphenoxy)-2-pyridin-2-ylpyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide has a molecular weight of 628.73 g/mol, XLogP of 3.98, 14 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[2-(ethylsulfonylamino)ethoxy]-5-(2-methoxyphenoxy)-2-pyridin-2-ylpyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide is sourced from PubChem (CID 18184202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).