2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[3-(diethylsulfamoyl)phenyl]acetamide

C20H20Cl2N4O4S — CID 46817824

IUPAC2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[3-(diethylsulfamoyl)phenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)c1
InChIInChI=1S/C20H20Cl2N4O4S/c1-3-26(4-2)31(29,30)15-7-5-6-14(10-15)24-18(27)11-25-12-23-19-16(20(25)28)8-13(21)9-17(19)22/h5-10,12H,3-4,11H2,1-2H3,(H,24,27)
InChIKeyKBXVYLVWSXGBBS-UHFFFAOYSA-N
MW483.38 g/mol
LogP3.37
Rot. Bonds7

About 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[3-(diethylsulfamoyl)phenyl]acetamide

2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[3-(diethylsulfamoyl)phenyl]acetamide (PubChem CID 46817824) has the molecular formula C20H20Cl2N4O4S and a molecular weight of 483.38 g/mol. Its IUPAC name is 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[3-(diethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[3-(diethylsulfamoyl)phenyl]acetamide
PubChem CID46817824
Molecular FormulaC20H20Cl2N4O4S
Molecular Weight483.38 g/mol
Exact Mass482.06
IUPAC Name2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[3-(diethylsulfamoyl)phenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)c1
InChIInChI=1S/C20H20Cl2N4O4S/c1-3-26(4-2)31(29,30)15-7-5-6-14(10-15)24-18(27)11-25-12-23-19-16(20(25)28)8-13(21)9-17(19)22/h5-10,12H,3-4,11H2,1-2H3,(H,24,27)
InChIKeyKBXVYLVWSXGBBS-UHFFFAOYSA-N
XLogP3.37
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-chloro-4-oxoquinazolin-3-yl)-N-(3-methylsulfonylphenyl)acetamide
CID 9355991
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 8891969
N-(4-chloro-2-methylphenyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide
CID 7628708
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 4810069
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(4-methyl-3-nitrophenyl)acetamide
CID 30759718
N-[3-(dimethylsulfamoyl)phenyl]-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55733302
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7875332
N-[3-(dimethylsulfamoyl)phenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 30839766
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 39061483
2-(2-chlorophenyl)sulfanyl-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 7950472
N-(3,4-dichlorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27873306
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N,N-di(propan-2-yl)acetamide
CID 18195110

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[3-(diethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[3-(diethylsulfamoyl)phenyl]acetamide (CID 46817824) is 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[3-(diethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[3-(diethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[3-(diethylsulfamoyl)phenyl]acetamide is CCN(CC)S(=O)(=O)c1cccc(NC(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)c1.
What is the InChIKey of 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[3-(diethylsulfamoyl)phenyl]acetamide?
The InChIKey is KBXVYLVWSXGBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N4O4S/c1-3-26(4-2)31(29,30)15-7-5-6-14(10-15)24-18(27)11-25-12-23-19-16(20(25)28)8-13(21)9-17(19)22/h5-10,12H,3-4,11H2,1-2H3,(H,24,27).
What are the key properties of 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[3-(diethylsulfamoyl)phenyl]acetamide?
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[3-(diethylsulfamoyl)phenyl]acetamide has a molecular weight of 483.38 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[3-(diethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 46817824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).