N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(4-propylpiperidin-1-yl)acetamide

C32H38N6O5S — CID 57448602

About N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(4-propylpiperidin-1-yl)acetamide

N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(4-propylpiperidin-1-yl)acetamide (PubChem CID 57448602) has the molecular formula C32H38N6O5S and a molecular weight of 618.76 g/mol. Its IUPAC name is N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(4-propylpiperidin-1-yl)acetamide.

Molecular Properties

• Compound Name: N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(4-propylpiperidin-1-yl)acetamide
• PubChem CID: 57448602
• Molecular Formula: C32H38N6O5S
• Molecular Weight: 618.76 g/mol
• Exact Mass: 618.26
• IUPAC Name: N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(4-propylpiperidin-1-yl)acetamide
• SMILES: CCCC1CCN(CC(=O)Nc2cccc(S(=O)(=O)Nc3nc4ccccc4nc3Nc3cc(OC)cc(OC)c3)c2)CC1
• InChI: InChI=1S/C32H38N6O5S/c1-4-8-22-13-15-38(16-14-22)21-30(39)33-23-9-7-10-27(19-23)44(40,41)37-32-31(35-28-11-5-6-12-29(28)36-32)34-24-17-25(42-2)20-26(18-24)43-3/h5-7,9-12,17-20,22H,4,8,13-16,21H2,1-3H3,(H,33,39)(H,34,35)(H,36,37)
• InChIKey: WHHGZLBLLROWSN-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 134.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	618.76
LogP ≤ 5	5.64
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]-2-(4-propylpiperidin-1-yl)acetamide?

The IUPAC name of N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(4-propylpiperidin-1-yl)acetamide (CID 57448602) is N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(4-propylpiperidin-1-yl)acetamide.

What is the SMILES notation for N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(4-propylpiperidin-1-yl)acetamide?

The canonical SMILES for N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(4-propylpiperidin-1-yl)acetamide is CCCC1CCN(CC(=O)Nc2cccc(S(=O)(=O)Nc3nc4ccccc4nc3Nc3cc(OC)cc(OC)c3)c2)CC1.

What is the InChIKey of N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(4-propylpiperidin-1-yl)acetamide?

The InChIKey is WHHGZLBLLROWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N6O5S/c1-4-8-22-13-15-38(16-14-22)21-30(39)33-23-9-7-10-27(19-23)44(40,41)37-32-31(35-28-11-5-6-12-29(28)36-32)34-24-17-25(42-2)20-26(18-24)43-3/h5-7,9-12,17-20,22H,4,8,13-16,21H2,1-3H3,(H,33,39)(H,34,35)(H,36,37).

What are the key properties of N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(4-propylpiperidin-1-yl)acetamide?

N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(4-propylpiperidin-1-yl)acetamide has a molecular weight of 618.76 g/mol, XLogP of 5.64, 12 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]-2-(4-propylpiperidin-1-yl)acetamide is sourced from PubChem (CID 57448602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).