N-[5-(2-methoxyphenoxy)-6-(oxolan-2-ylmethoxy)-2-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-4-pyridinyl]pyrimidin-4-yl]-5-methylpyridine-2-sulfonamide

C29H27N7O8S — CID 135890971

About N-[5-(2-methoxyphenoxy)-6-(oxolan-2-ylmethoxy)-2-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-4-pyridinyl]pyrimidin-4-yl]-5-methylpyridine-2-sulfonamide

N-[5-(2-methoxyphenoxy)-6-(oxolan-2-ylmethoxy)-2-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-4-pyridinyl]pyrimidin-4-yl]-5-methylpyridine-2-sulfonamide (PubChem CID 135890971) has the molecular formula C29H27N7O8S and a molecular weight of 633.64 g/mol. Its IUPAC name is N-[5-(2-methoxyphenoxy)-6-(oxolan-2-ylmethoxy)-2-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-4-pyridinyl]pyrimidin-4-yl]-5-methylpyridine-2-sulfonamide.

Molecular Properties

• Compound Name: N-[5-(2-methoxyphenoxy)-6-(oxolan-2-ylmethoxy)-2-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-4-pyridinyl]pyrimidin-4-yl]-5-methylpyridine-2-sulfonamide
• PubChem CID: 135890971
• Molecular Formula: C29H27N7O8S
• Molecular Weight: 633.64 g/mol
• Exact Mass: 633.16
• IUPAC Name: N-[5-(2-methoxyphenoxy)-6-(oxolan-2-ylmethoxy)-2-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-4-pyridinyl]pyrimidin-4-yl]-5-methylpyridine-2-sulfonamide
• SMILES: COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(-c2ccnc(-c3noc(=O)[nH]3)c2)nc1OCC1CCCO1
• InChI: InChI=1S/C29H27N7O8S/c1-17-9-10-23(31-15-17)45(38,39)36-27-24(43-22-8-4-3-7-21(22)40-2)28(42-16-19-6-5-13-41-19)33-25(32-27)18-11-12-30-20(14-18)26-34-29(37)44-35-26/h3-4,7-12,14-15,19H,5-6,13,16H2,1-2H3,(H,32,33,36)(H,34,35,37)
• InChIKey: WFNSPKLFFKRGNT-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 193.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	633.64
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methoxyphenoxy)-6-(oxolan-2-ylmethoxy)-2-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-4-pyridinyl]pyrimidin-4-yl]-5-methylpyridine-2-sulfonamide?

The IUPAC name of N-[5-(2-methoxyphenoxy)-6-(oxolan-2-ylmethoxy)-2-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-4-pyridinyl]pyrimidin-4-yl]-5-methylpyridine-2-sulfonamide (CID 135890971) is N-[5-(2-methoxyphenoxy)-6-(oxolan-2-ylmethoxy)-2-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-4-pyridinyl]pyrimidin-4-yl]-5-methylpyridine-2-sulfonamide.

What is the SMILES notation for N-[5-(2-methoxyphenoxy)-6-(oxolan-2-ylmethoxy)-2-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-4-pyridinyl]pyrimidin-4-yl]-5-methylpyridine-2-sulfonamide?

The canonical SMILES for N-[5-(2-methoxyphenoxy)-6-(oxolan-2-ylmethoxy)-2-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-4-pyridinyl]pyrimidin-4-yl]-5-methylpyridine-2-sulfonamide is COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(-c2ccnc(-c3noc(=O)[nH]3)c2)nc1OCC1CCCO1.

What is the InChIKey of N-[5-(2-methoxyphenoxy)-6-(oxolan-2-ylmethoxy)-2-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-4-pyridinyl]pyrimidin-4-yl]-5-methylpyridine-2-sulfonamide?

The InChIKey is WFNSPKLFFKRGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N7O8S/c1-17-9-10-23(31-15-17)45(38,39)36-27-24(43-22-8-4-3-7-21(22)40-2)28(42-16-19-6-5-13-41-19)33-25(32-27)18-11-12-30-20(14-18)26-34-29(37)44-35-26/h3-4,7-12,14-15,19H,5-6,13,16H2,1-2H3,(H,32,33,36)(H,34,35,37).

What are the key properties of N-[5-(2-methoxyphenoxy)-6-(oxolan-2-ylmethoxy)-2-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-4-pyridinyl]pyrimidin-4-yl]-5-methylpyridine-2-sulfonamide?

N-[5-(2-methoxyphenoxy)-6-(oxolan-2-ylmethoxy)-2-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-4-pyridinyl]pyrimidin-4-yl]-5-methylpyridine-2-sulfonamide has a molecular weight of 633.64 g/mol, XLogP of 3.74, 11 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(2-methoxyphenoxy)-6-(oxolan-2-ylmethoxy)-2-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-4-pyridinyl]pyrimidin-4-yl]-5-methylpyridine-2-sulfonamide is sourced from PubChem (CID 135890971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).