N-[6-cyano-2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-3-hydroxy-1-oxo-3H-isoindol-4-yl]acetamide

C22H24N4O7S — CID 166810310

About N-[6-cyano-2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-3-hydroxy-1-oxo-3H-isoindol-4-yl]acetamide

N-[6-cyano-2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-3-hydroxy-1-oxo-3H-isoindol-4-yl]acetamide (PubChem CID 166810310) has the molecular formula C22H24N4O7S and a molecular weight of 488.52 g/mol. Its IUPAC name is N-[6-cyano-2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-3-hydroxy-1-oxo-3H-isoindol-4-yl]acetamide.

Molecular Properties

• Compound Name: N-[6-cyano-2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-3-hydroxy-1-oxo-3H-isoindol-4-yl]acetamide
• PubChem CID: 166810310
• Molecular Formula: C22H24N4O7S
• Molecular Weight: 488.52 g/mol
• Exact Mass: 488.14
• IUPAC Name: N-[6-cyano-2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-3-hydroxy-1-oxo-3H-isoindol-4-yl]acetamide
• SMILES: CCOc1nc(C(CS(C)(=O)=O)N2C(=O)c3cc(C#N)cc(NC(C)=O)c3C2O)ccc1OC
• InChI: InChI=1S/C22H24N4O7S/c1-5-33-20-18(32-3)7-6-15(25-20)17(11-34(4,30)31)26-21(28)14-8-13(10-23)9-16(24-12(2)27)19(14)22(26)29/h6-9,17,22,29H,5,11H2,1-4H3,(H,24,27)
• InChIKey: GDDDYYINARUCGQ-UHFFFAOYSA-N
• XLogP: 1.55
• TPSA: 158.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.52
LogP ≤ 5	1.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[6-cyano-2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-3-hydroxy-1-oxo-3H-isoindol-4-yl]acetamide?

The IUPAC name of N-[6-cyano-2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-3-hydroxy-1-oxo-3H-isoindol-4-yl]acetamide (CID 166810310) is N-[6-cyano-2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-3-hydroxy-1-oxo-3H-isoindol-4-yl]acetamide.

What is the SMILES notation for N-[6-cyano-2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-3-hydroxy-1-oxo-3H-isoindol-4-yl]acetamide?

The canonical SMILES for N-[6-cyano-2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-3-hydroxy-1-oxo-3H-isoindol-4-yl]acetamide is CCOc1nc(C(CS(C)(=O)=O)N2C(=O)c3cc(C#N)cc(NC(C)=O)c3C2O)ccc1OC.

What is the InChIKey of N-[6-cyano-2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-3-hydroxy-1-oxo-3H-isoindol-4-yl]acetamide?

The InChIKey is GDDDYYINARUCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O7S/c1-5-33-20-18(32-3)7-6-15(25-20)17(11-34(4,30)31)26-21(28)14-8-13(10-23)9-16(24-12(2)27)19(14)22(26)29/h6-9,17,22,29H,5,11H2,1-4H3,(H,24,27).

What are the key properties of N-[6-cyano-2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-3-hydroxy-1-oxo-3H-isoindol-4-yl]acetamide?

N-[6-cyano-2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-3-hydroxy-1-oxo-3H-isoindol-4-yl]acetamide has a molecular weight of 488.52 g/mol, XLogP of 1.55, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-cyano-2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-3-hydroxy-1-oxo-3H-isoindol-4-yl]acetamide is sourced from PubChem (CID 166810310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).