N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-N-ethylazetidine-3-carboxamide

C28H30N6O5S — CID 68794336

About N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-N-ethylazetidine-3-carboxamide

N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-N-ethylazetidine-3-carboxamide (PubChem CID 68794336) has the molecular formula C28H30N6O5S and a molecular weight of 562.65 g/mol. Its IUPAC name is N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-N-ethylazetidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-N-ethylazetidine-3-carboxamide
• PubChem CID: 68794336
• Molecular Formula: C28H30N6O5S
• Molecular Weight: 562.65 g/mol
• Exact Mass: 562.20
• IUPAC Name: N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-N-ethylazetidine-3-carboxamide
• SMILES: CCN(C(=O)C1CNC1)c1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cc(OC)cc(OC)c2)c1
• InChI: InChI=1S/C28H30N6O5S/c1-4-34(28(35)18-16-29-17-18)20-8-7-9-23(14-20)40(36,37)33-27-26(31-24-10-5-6-11-25(24)32-27)30-19-12-21(38-2)15-22(13-19)39-3/h5-15,18,29H,4,16-17H2,1-3H3,(H,30,31)(H,32,33)
• InChIKey: FRHQMZQRASUCOJ-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 134.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	562.65
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-N-ethylazetidine-3-carboxamide?

The IUPAC name of N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-N-ethylazetidine-3-carboxamide (CID 68794336) is N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-N-ethylazetidine-3-carboxamide.

What is the SMILES notation for N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-N-ethylazetidine-3-carboxamide?

The canonical SMILES for N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-N-ethylazetidine-3-carboxamide is CCN(C(=O)C1CNC1)c1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cc(OC)cc(OC)c2)c1.

What is the InChIKey of N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-N-ethylazetidine-3-carboxamide?

The InChIKey is FRHQMZQRASUCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O5S/c1-4-34(28(35)18-16-29-17-18)20-8-7-9-23(14-20)40(36,37)33-27-26(31-24-10-5-6-11-25(24)32-27)30-19-12-21(38-2)15-22(13-19)39-3/h5-15,18,29H,4,16-17H2,1-3H3,(H,30,31)(H,32,33).

What are the key properties of N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-N-ethylazetidine-3-carboxamide?

N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-N-ethylazetidine-3-carboxamide has a molecular weight of 562.65 g/mol, XLogP of 3.76, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-N-ethylazetidine-3-carboxamide is sourced from PubChem (CID 68794336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).