2-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]-4-methylanilino]-2-methylpropanamide

C26H27ClN6O4S — CID 66617433

About 2-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]-4-methylanilino]-2-methylpropanamide

2-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]-4-methylanilino]-2-methylpropanamide (PubChem CID 66617433) has the molecular formula C26H27ClN6O4S and a molecular weight of 555.06 g/mol. Its IUPAC name is 2-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]-4-methylanilino]-2-methylpropanamide.

Molecular Properties

• Compound Name: 2-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]-4-methylanilino]-2-methylpropanamide
• PubChem CID: 66617433
• Molecular Formula: C26H27ClN6O4S
• Molecular Weight: 555.06 g/mol
• Exact Mass: 554.15
• IUPAC Name: 2-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]-4-methylanilino]-2-methylpropanamide
• SMILES: COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cc(NC(C)(C)C(N)=O)ccc2C)c1
• InChI: InChI=1S/C26H27ClN6O4S/c1-15-9-10-16(32-26(2,3)25(28)34)13-22(15)38(35,36)33-24-23(29-19-7-5-6-8-20(19)30-24)31-21-14-17(37-4)11-12-18(21)27/h5-14,32H,1-4H3,(H2,28,34)(H,29,31)(H,30,33)
• InChIKey: FTKLIODGRUUFJP-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 148.33 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	555.06
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]-4-methylanilino]-2-methylpropanamide?

The IUPAC name of 2-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]-4-methylanilino]-2-methylpropanamide (CID 66617433) is 2-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]-4-methylanilino]-2-methylpropanamide.

What is the SMILES notation for 2-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]-4-methylanilino]-2-methylpropanamide?

The canonical SMILES for 2-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]-4-methylanilino]-2-methylpropanamide is COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cc(NC(C)(C)C(N)=O)ccc2C)c1.

What is the InChIKey of 2-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]-4-methylanilino]-2-methylpropanamide?

The InChIKey is FTKLIODGRUUFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN6O4S/c1-15-9-10-16(32-26(2,3)25(28)34)13-22(15)38(35,36)33-24-23(29-19-7-5-6-8-20(19)30-24)31-21-14-17(37-4)11-12-18(21)27/h5-14,32H,1-4H3,(H2,28,34)(H,29,31)(H,30,33).

What are the key properties of 2-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]-4-methylanilino]-2-methylpropanamide?

2-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]-4-methylanilino]-2-methylpropanamide has a molecular weight of 555.06 g/mol, XLogP of 4.82, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]-4-methylanilino]-2-methylpropanamide is sourced from PubChem (CID 66617433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).