2-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydroquinolin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide

C26H24N4O4S2 — CID 2241251

About 2-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydroquinolin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide

2-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydroquinolin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 2241251) has the molecular formula C26H24N4O4S2 and a molecular weight of 520.64 g/mol. Its IUPAC name is 2-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydroquinolin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydroquinolin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
• PubChem CID: 2241251
• Molecular Formula: C26H24N4O4S2
• Molecular Weight: 520.64 g/mol
• Exact Mass: 520.12
• IUPAC Name: 2-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydroquinolin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
• SMILES: CC1(C)CC(=O)c2c(nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)c(C#N)c2-c2ccccc2)C1
• InChI: InChI=1S/C26H24N4O4S2/c1-26(2)12-20-24(21(31)13-26)23(16-6-4-3-5-7-16)19(14-27)25(30-20)35-15-22(32)29-17-8-10-18(11-9-17)36(28,33)34/h3-11H,12-13,15H2,1-2H3,(H,29,32)(H2,28,33,34)
• InChIKey: RVYCCLDNBHAGOU-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 143.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.64
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydroquinolin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide?

The IUPAC name of 2-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydroquinolin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide (CID 2241251) is 2-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydroquinolin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide.

What is the SMILES notation for 2-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydroquinolin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide?

The canonical SMILES for 2-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydroquinolin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide is CC1(C)CC(=O)c2c(nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)c(C#N)c2-c2ccccc2)C1.

What is the InChIKey of 2-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydroquinolin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide?

The InChIKey is RVYCCLDNBHAGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4S2/c1-26(2)12-20-24(21(31)13-26)23(16-6-4-3-5-7-16)19(14-27)25(30-20)35-15-22(32)29-17-8-10-18(11-9-17)36(28,33)34/h3-11H,12-13,15H2,1-2H3,(H,29,32)(H2,28,33,34).

What are the key properties of 2-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydroquinolin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide?

2-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydroquinolin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 520.64 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydroquinolin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 2241251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).