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

C28H32N6O5S — CID 59249131

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

2-[ethyl(propan-2-yl)amino]-N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide (PubChem CID 59249131) has the molecular formula C28H32N6O5S and a molecular weight of 564.67 g/mol. Its IUPAC name is 2-[ethyl(propan-2-yl)amino]-N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[ethyl(propan-2-yl)amino]-N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
• PubChem CID: 59249131
• Molecular Formula: C28H32N6O5S
• Molecular Weight: 564.67 g/mol
• Exact Mass: 564.22
• IUPAC Name: 2-[ethyl(propan-2-yl)amino]-N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
• SMILES: CCN(CC(=O)Nc1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cc(O)cc(OC)c2)c1)C(C)C
• InChI: InChI=1S/C28H32N6O5S/c1-5-34(18(2)3)17-26(36)29-19-9-8-10-23(15-19)40(37,38)33-28-27(31-24-11-6-7-12-25(24)32-28)30-20-13-21(35)16-22(14-20)39-4/h6-16,18,35H,5,17H2,1-4H3,(H,29,36)(H,30,31)(H,32,33)
• InChIKey: XUMOFPUFUVQWBA-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 145.78 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.67
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(propan-2-yl)amino]-N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide?

The IUPAC name of 2-[ethyl(propan-2-yl)amino]-N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide (CID 59249131) is 2-[ethyl(propan-2-yl)amino]-N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide.

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

The canonical SMILES for 2-[ethyl(propan-2-yl)amino]-N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide is CCN(CC(=O)Nc1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cc(O)cc(OC)c2)c1)C(C)C.

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

The InChIKey is XUMOFPUFUVQWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O5S/c1-5-34(18(2)3)17-26(36)29-19-9-8-10-23(15-19)40(37,38)33-28-27(31-24-11-6-7-12-25(24)32-28)30-20-13-21(35)16-22(14-20)39-4/h6-16,18,35H,5,17H2,1-4H3,(H,29,36)(H,30,31)(H,32,33).

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

2-[ethyl(propan-2-yl)amino]-N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 564.67 g/mol, XLogP of 4.56, 11 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[ethyl(propan-2-yl)amino]-N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 59249131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).