[2-[4-(acetylsulfamoyl)anilino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate

C27H20N4O8S — CID 25035659

About [2-[4-(acetylsulfamoyl)anilino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate

[2-[4-(acetylsulfamoyl)anilino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate (PubChem CID 25035659) has the molecular formula C27H20N4O8S and a molecular weight of 560.54 g/mol. Its IUPAC name is [2-[4-(acetylsulfamoyl)anilino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate.

Molecular Properties

• Compound Name: [2-[4-(acetylsulfamoyl)anilino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
• PubChem CID: 25035659
• Molecular Formula: C27H20N4O8S
• Molecular Weight: 560.54 g/mol
• Exact Mass: 560.10
• IUPAC Name: [2-[4-(acetylsulfamoyl)anilino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
• SMILES: CC(=O)NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1
• InChI: InChI=1S/C27H20N4O8S/c1-16(32)31-40(35,36)19-9-7-18(8-10-19)28-24(33)15-39-27(34)17-6-11-20-21(14-17)30-26(23-5-3-13-38-23)25(29-20)22-4-2-12-37-22/h2-14H,15H2,1H3,(H,28,33)(H,31,32)
• InChIKey: HVYYFQHJAVBYTP-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 170.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	560.54
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [2-[4-(acetylsulfamoyl)anilino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate?

The IUPAC name of [2-[4-(acetylsulfamoyl)anilino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate (CID 25035659) is [2-[4-(acetylsulfamoyl)anilino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate.

What is the SMILES notation for [2-[4-(acetylsulfamoyl)anilino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate?

The canonical SMILES for [2-[4-(acetylsulfamoyl)anilino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate is CC(=O)NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1.

What is the InChIKey of [2-[4-(acetylsulfamoyl)anilino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate?

The InChIKey is HVYYFQHJAVBYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N4O8S/c1-16(32)31-40(35,36)19-9-7-18(8-10-19)28-24(33)15-39-27(34)17-6-11-20-21(14-17)30-26(23-5-3-13-38-23)25(29-20)22-4-2-12-37-22/h2-14H,15H2,1H3,(H,28,33)(H,31,32).

What are the key properties of [2-[4-(acetylsulfamoyl)anilino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate?

[2-[4-(acetylsulfamoyl)anilino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate has a molecular weight of 560.54 g/mol, XLogP of 3.77, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[4-(acetylsulfamoyl)anilino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate is sourced from PubChem (CID 25035659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).