N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-4-methylpentanamide;methane

C28H33N5O5S — CID 158201665

About N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-4-methylpentanamide;methane

N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-4-methylpentanamide;methane (PubChem CID 158201665) has the molecular formula C28H33N5O5S and a molecular weight of 551.67 g/mol. Its IUPAC name is N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-4-methylpentanamide;methane.

Molecular Properties

• Compound Name: N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-4-methylpentanamide;methane
• PubChem CID: 158201665
• Molecular Formula: C28H33N5O5S
• Molecular Weight: 551.67 g/mol
• Exact Mass: 551.22
• IUPAC Name: N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-4-methylpentanamide;methane
• SMILES: C.COc1cc(O)cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)CCC(C)C)c2)c1
• InChI: InChI=1S/C27H29N5O5S.CH4/c1-17(2)11-12-25(34)28-18-7-6-8-22(15-18)38(35,36)32-27-26(30-23-9-4-5-10-24(23)31-27)29-19-13-20(33)16-21(14-19)37-3;/h4-10,13-17,33H,11-12H2,1-3H3,(H,28,34)(H,29,30)(H,31,32);1H4
• InChIKey: GAZXZGDJYDPBRT-UHFFFAOYSA-N
• XLogP: 5.90
• TPSA: 142.54 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.67
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-4-methylpentanamide;methane?

The IUPAC name of N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-4-methylpentanamide;methane (CID 158201665) is N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-4-methylpentanamide;methane.

What is the SMILES notation for N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-4-methylpentanamide;methane?

The canonical SMILES for N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-4-methylpentanamide;methane is C.COc1cc(O)cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)CCC(C)C)c2)c1.

What is the InChIKey of N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-4-methylpentanamide;methane?

The InChIKey is GAZXZGDJYDPBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O5S.CH4/c1-17(2)11-12-25(34)28-18-7-6-8-22(15-18)38(35,36)32-27-26(30-23-9-4-5-10-24(23)31-27)29-19-13-20(33)16-21(14-19)37-3;/h4-10,13-17,33H,11-12H2,1-3H3,(H,28,34)(H,29,30)(H,31,32);1H4.

What are the key properties of N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-4-methylpentanamide;methane?

N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-4-methylpentanamide;methane has a molecular weight of 551.67 g/mol, XLogP of 5.90, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-4-methylpentanamide;methane is sourced from PubChem (CID 158201665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).