2-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]-N-[2-(dimethylamino)ethyl]anilino]acetamide

C28H33N7O5S — CID 67161966

About 2-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]-N-[2-(dimethylamino)ethyl]anilino]acetamide

2-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]-N-[2-(dimethylamino)ethyl]anilino]acetamide (PubChem CID 67161966) has the molecular formula C28H33N7O5S and a molecular weight of 579.68 g/mol. Its IUPAC name is 2-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]-N-[2-(dimethylamino)ethyl]anilino]acetamide.

Molecular Properties

• Compound Name: 2-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]-N-[2-(dimethylamino)ethyl]anilino]acetamide
• PubChem CID: 67161966
• Molecular Formula: C28H33N7O5S
• Molecular Weight: 579.68 g/mol
• Exact Mass: 579.23
• IUPAC Name: 2-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]-N-[2-(dimethylamino)ethyl]anilino]acetamide
• SMILES: COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(N(CCN(C)C)CC(N)=O)c2)cc(OC)c1
• InChI: InChI=1S/C28H33N7O5S/c1-34(2)12-13-35(18-26(29)36)20-8-7-9-23(16-20)41(37,38)33-28-27(31-24-10-5-6-11-25(24)32-28)30-19-14-21(39-3)17-22(15-19)40-4/h5-11,14-17H,12-13,18H2,1-4H3,(H2,29,36)(H,30,31)(H,32,33)
• InChIKey: LWIWOQXOZQJEBF-UHFFFAOYSA-N
• XLogP: 3.04
• TPSA: 152.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	579.68
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]-N-[2-(dimethylamino)ethyl]anilino]acetamide?

The IUPAC name of 2-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]-N-[2-(dimethylamino)ethyl]anilino]acetamide (CID 67161966) is 2-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]-N-[2-(dimethylamino)ethyl]anilino]acetamide.

What is the SMILES notation for 2-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]-N-[2-(dimethylamino)ethyl]anilino]acetamide?

The canonical SMILES for 2-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]-N-[2-(dimethylamino)ethyl]anilino]acetamide is COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(N(CCN(C)C)CC(N)=O)c2)cc(OC)c1.

What is the InChIKey of 2-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]-N-[2-(dimethylamino)ethyl]anilino]acetamide?

The InChIKey is LWIWOQXOZQJEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7O5S/c1-34(2)12-13-35(18-26(29)36)20-8-7-9-23(16-20)41(37,38)33-28-27(31-24-10-5-6-11-25(24)32-28)30-19-14-21(39-3)17-22(15-19)40-4/h5-11,14-17H,12-13,18H2,1-4H3,(H2,29,36)(H,30,31)(H,32,33).

What are the key properties of 2-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]-N-[2-(dimethylamino)ethyl]anilino]acetamide?

2-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]-N-[2-(dimethylamino)ethyl]anilino]acetamide has a molecular weight of 579.68 g/mol, XLogP of 3.04, 13 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]-N-[2-(dimethylamino)ethyl]anilino]acetamide is sourced from PubChem (CID 67161966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).