N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-pyridin-3-ylacetamide

C28H24N6O5S — CID 59249030

About N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-pyridin-3-ylacetamide

N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-pyridin-3-ylacetamide (PubChem CID 59249030) has the molecular formula C28H24N6O5S and a molecular weight of 556.60 g/mol. Its IUPAC name is N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-pyridin-3-ylacetamide.

Molecular Properties

• Compound Name: N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-pyridin-3-ylacetamide
• PubChem CID: 59249030
• Molecular Formula: C28H24N6O5S
• Molecular Weight: 556.60 g/mol
• Exact Mass: 556.15
• IUPAC Name: N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-pyridin-3-ylacetamide
• SMILES: COc1cc(O)cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)Cc3cccnc3)c2)c1
• InChI: InChI=1S/C28H24N6O5S/c1-39-22-14-20(13-21(35)16-22)31-27-28(33-25-10-3-2-9-24(25)32-27)34-40(37,38)23-8-4-7-19(15-23)30-26(36)12-18-6-5-11-29-17-18/h2-11,13-17,35H,12H2,1H3,(H,30,36)(H,31,32)(H,33,34)
• InChIKey: SWYYIDNNBSYWOR-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 155.43 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	556.60
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-pyridin-3-ylacetamide?

The IUPAC name of N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-pyridin-3-ylacetamide (CID 59249030) is N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-pyridin-3-ylacetamide.

What is the SMILES notation for N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-pyridin-3-ylacetamide?

The canonical SMILES for N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-pyridin-3-ylacetamide is COc1cc(O)cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)Cc3cccnc3)c2)c1.

What is the InChIKey of N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-pyridin-3-ylacetamide?

The InChIKey is SWYYIDNNBSYWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O5S/c1-39-22-14-20(13-21(35)16-22)31-27-28(33-25-10-3-2-9-24(25)32-27)34-40(37,38)23-8-4-7-19(15-23)30-26(36)12-18-6-5-11-29-17-18/h2-11,13-17,35H,12H2,1H3,(H,30,36)(H,31,32)(H,33,34).

What are the key properties of N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-pyridin-3-ylacetamide?

N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-pyridin-3-ylacetamide has a molecular weight of 556.60 g/mol, XLogP of 4.46, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 59249030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).