2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide

C22H28N4O5S — CID 30873107

About 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide

2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide (PubChem CID 30873107) has the molecular formula C22H28N4O5S and a molecular weight of 460.56 g/mol. Its IUPAC name is 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide
• PubChem CID: 30873107
• Molecular Formula: C22H28N4O5S
• Molecular Weight: 460.56 g/mol
• Exact Mass: 460.18
• IUPAC Name: 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide
• SMILES: CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2cccc(CN3CCCC3=O)c2)c1
• InChI: InChI=1S/C22H28N4O5S/c1-3-26(4-2)32(30,31)19-10-11-22(29)25(15-19)16-20(27)23-18-8-5-7-17(13-18)14-24-12-6-9-21(24)28/h5,7-8,10-11,13,15H,3-4,6,9,12,14,16H2,1-2H3,(H,23,27)
• InChIKey: NUYVDDSANUJQBP-UHFFFAOYSA-N
• XLogP: 1.64
• TPSA: 108.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.56
LogP ≤ 5	1.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide?

The IUPAC name of 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide (CID 30873107) is 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide.

What is the SMILES notation for 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide?

The canonical SMILES for 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide is CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2cccc(CN3CCCC3=O)c2)c1.

What is the InChIKey of 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide?

The InChIKey is NUYVDDSANUJQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O5S/c1-3-26(4-2)32(30,31)19-10-11-22(29)25(15-19)16-20(27)23-18-8-5-7-17(13-18)14-24-12-6-9-21(24)28/h5,7-8,10-11,13,15H,3-4,6,9,12,14,16H2,1-2H3,(H,23,27).

What are the key properties of 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide?

2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide has a molecular weight of 460.56 g/mol, XLogP of 1.64, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 30873107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).