N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]acetamide

C20H19ClN4O4S2 — CID 3253625

About N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]acetamide

N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]acetamide (PubChem CID 3253625) has the molecular formula C20H19ClN4O4S2 and a molecular weight of 478.98 g/mol. Its IUPAC name is N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]acetamide
• PubChem CID: 3253625
• Molecular Formula: C20H19ClN4O4S2
• Molecular Weight: 478.98 g/mol
• Exact Mass: 478.05
• IUPAC Name: N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]acetamide
• SMILES: CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nc3c(cc2C#N)C(=O)CCC3)c1
• InChI: InChI=1S/C20H19ClN4O4S2/c1-25(2)31(28,29)13-6-7-15(21)17(9-13)23-19(27)11-30-20-12(10-22)8-14-16(24-20)4-3-5-18(14)26/h6-9H,3-5,11H2,1-2H3,(H,23,27)
• InChIKey: DCOYJAHNTIMGED-UHFFFAOYSA-N
• XLogP: 3.11
• TPSA: 120.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.98
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]acetamide?

The IUPAC name of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]acetamide (CID 3253625) is N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]acetamide.

What is the SMILES notation for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]acetamide?

The canonical SMILES for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]acetamide is CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nc3c(cc2C#N)C(=O)CCC3)c1.

What is the InChIKey of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]acetamide?

The InChIKey is DCOYJAHNTIMGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O4S2/c1-25(2)31(28,29)13-6-7-15(21)17(9-13)23-19(27)11-30-20-12(10-22)8-14-16(24-20)4-3-5-18(14)26/h6-9H,3-5,11H2,1-2H3,(H,23,27).

What are the key properties of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]acetamide?

N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]acetamide has a molecular weight of 478.98 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 3253625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).