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

C20H25N5O5S — CID 56547532

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

6-(diethylsulfamoyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 56547532) has the molecular formula C20H25N5O5S and a molecular weight of 447.52 g/mol. Its IUPAC name is 6-(diethylsulfamoyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

• Compound Name: 6-(diethylsulfamoyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-2-oxo-1H-quinoline-4-carboxamide
• PubChem CID: 56547532
• Molecular Formula: C20H25N5O5S
• Molecular Weight: 447.52 g/mol
• Exact Mass: 447.16
• IUPAC Name: 6-(diethylsulfamoyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-2-oxo-1H-quinoline-4-carboxamide
• SMILES: CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NC(C)(C)c3noc(C)n3)c2c1
• InChI: InChI=1S/C20H25N5O5S/c1-6-25(7-2)31(28,29)13-8-9-16-14(10-13)15(11-17(26)22-16)18(27)23-20(4,5)19-21-12(3)30-24-19/h8-11H,6-7H2,1-5H3,(H,22,26)(H,23,27)
• InChIKey: MPIRZGAPRFQMIN-UHFFFAOYSA-N
• XLogP: 1.92
• TPSA: 138.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.52
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 6-(diethylsulfamoyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-2-oxo-1H-quinoline-4-carboxamide (CID 56547532) is 6-(diethylsulfamoyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-2-oxo-1H-quinoline-4-carboxamide.

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

The canonical SMILES for 6-(diethylsulfamoyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-2-oxo-1H-quinoline-4-carboxamide is CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NC(C)(C)c3noc(C)n3)c2c1.

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

The InChIKey is MPIRZGAPRFQMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O5S/c1-6-25(7-2)31(28,29)13-8-9-16-14(10-13)15(11-17(26)22-16)18(27)23-20(4,5)19-21-12(3)30-24-19/h8-11H,6-7H2,1-5H3,(H,22,26)(H,23,27).

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

6-(diethylsulfamoyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 447.52 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(diethylsulfamoyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 56547532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).