6-(diethylsulfamoyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-oxo-1H-quinoline-4-carboxamide

C22H27N5O5S — CID 55538796

About 6-(diethylsulfamoyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-oxo-1H-quinoline-4-carboxamide

6-(diethylsulfamoyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 55538796) has the molecular formula C22H27N5O5S and a molecular weight of 473.56 g/mol. Its IUPAC name is 6-(diethylsulfamoyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

• Compound Name: 6-(diethylsulfamoyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-oxo-1H-quinoline-4-carboxamide
• PubChem CID: 55538796
• Molecular Formula: C22H27N5O5S
• Molecular Weight: 473.56 g/mol
• Exact Mass: 473.17
• IUPAC Name: 6-(diethylsulfamoyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-oxo-1H-quinoline-4-carboxamide
• SMILES: CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NC3(c4noc(C)n4)CCCC3)c2c1
• InChI: InChI=1S/C22H27N5O5S/c1-4-27(5-2)33(30,31)15-8-9-18-16(12-15)17(13-19(28)24-18)20(29)25-22(10-6-7-11-22)21-23-14(3)32-26-21/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,24,28)(H,25,29)
• InChIKey: UKZXLVBEGOVVER-UHFFFAOYSA-N
• XLogP: 2.45
• TPSA: 138.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.56
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-(diethylsulfamoyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-oxo-1H-quinoline-4-carboxamide?

The IUPAC name of 6-(diethylsulfamoyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-oxo-1H-quinoline-4-carboxamide (CID 55538796) is 6-(diethylsulfamoyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-oxo-1H-quinoline-4-carboxamide.

What is the SMILES notation for 6-(diethylsulfamoyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-oxo-1H-quinoline-4-carboxamide?

The canonical SMILES for 6-(diethylsulfamoyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-oxo-1H-quinoline-4-carboxamide is CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NC3(c4noc(C)n4)CCCC3)c2c1.

What is the InChIKey of 6-(diethylsulfamoyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-oxo-1H-quinoline-4-carboxamide?

The InChIKey is UKZXLVBEGOVVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O5S/c1-4-27(5-2)33(30,31)15-8-9-18-16(12-15)17(13-19(28)24-18)20(29)25-22(10-6-7-11-22)21-23-14(3)32-26-21/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,24,28)(H,25,29).

What are the key properties of 6-(diethylsulfamoyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-oxo-1H-quinoline-4-carboxamide?

6-(diethylsulfamoyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 473.56 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(diethylsulfamoyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 55538796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).