N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(2-phenylpropylamino)acetamide

C32H32N6O5S — CID 59249161

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

N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(2-phenylpropylamino)acetamide (PubChem CID 59249161) has the molecular formula C32H32N6O5S and a molecular weight of 612.71 g/mol. Its IUPAC name is N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(2-phenylpropylamino)acetamide.

Molecular Properties

• Compound Name: N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(2-phenylpropylamino)acetamide
• PubChem CID: 59249161
• Molecular Formula: C32H32N6O5S
• Molecular Weight: 612.71 g/mol
• Exact Mass: 612.22
• IUPAC Name: N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(2-phenylpropylamino)acetamide
• SMILES: COc1cc(O)cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)CNCC(C)c3ccccc3)c2)c1
• InChI: InChI=1S/C32H32N6O5S/c1-21(22-9-4-3-5-10-22)19-33-20-30(40)34-23-11-8-12-27(17-23)44(41,42)38-32-31(36-28-13-6-7-14-29(28)37-32)35-24-15-25(39)18-26(16-24)43-2/h3-18,21,33,39H,19-20H2,1-2H3,(H,34,40)(H,35,36)(H,37,38)
• InChIKey: CHQOXLWMSGIIBU-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 154.57 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	612.71
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	5
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-(2-phenylpropylamino)acetamide?

The IUPAC name of N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(2-phenylpropylamino)acetamide (CID 59249161) is N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(2-phenylpropylamino)acetamide.

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

The canonical SMILES for N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(2-phenylpropylamino)acetamide is COc1cc(O)cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)CNCC(C)c3ccccc3)c2)c1.

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

The InChIKey is CHQOXLWMSGIIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N6O5S/c1-21(22-9-4-3-5-10-22)19-33-20-30(40)34-23-11-8-12-27(17-23)44(41,42)38-32-31(36-28-13-6-7-14-29(28)37-32)35-24-15-25(39)18-26(16-24)43-2/h3-18,21,33,39H,19-20H2,1-2H3,(H,34,40)(H,35,36)(H,37,38).

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

N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(2-phenylpropylamino)acetamide has a molecular weight of 612.71 g/mol, XLogP of 5.22, 12 rotatable bonds, 5 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-(2-phenylpropylamino)acetamide is sourced from PubChem (CID 59249161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).