6-(diethylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide

C22H24FN3O4S — CID 41365118

IUPAC6-(diethylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCCc3cccc(F)c3)c2c1
InChIInChI=1S/C22H24FN3O4S/c1-3-26(4-2)31(29,30)17-8-9-20-18(13-17)19(14-21(27)25-20)22(28)24-11-10-15-6-5-7-16(23)12-15/h5-9,12-14H,3-4,10-11H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyQONHPBHRMPRLQZ-UHFFFAOYSA-N
MW445.52 g/mol
LogP2.67
Rot. Bonds8

About 6-(diethylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide

6-(diethylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 41365118) has the molecular formula C22H24FN3O4S and a molecular weight of 445.52 g/mol. Its IUPAC name is 6-(diethylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name6-(diethylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID41365118
Molecular FormulaC22H24FN3O4S
Molecular Weight445.52 g/mol
Exact Mass445.15
IUPAC Name6-(diethylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCCc3cccc(F)c3)c2c1
InChIInChI=1S/C22H24FN3O4S/c1-3-26(4-2)31(29,30)17-8-9-20-18(13-17)19(14-21(27)25-20)22(28)24-11-10-15-6-5-7-16(23)12-15/h5-9,12-14H,3-4,10-11H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyQONHPBHRMPRLQZ-UHFFFAOYSA-N
XLogP2.67
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 42907174
N-(2-aminoethyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 119384301
N-[2-(cyclohexen-1-yl)ethyl]-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
CID 27666353
6-(diethylsulfamoyl)-N-[3-(methoxymethyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide
CID 32638443
6-(diethylsulfamoyl)-N-[2-(methylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide
CID 120829777
6-(diethylsulfamoyl)-N-[2-(2-nitroanilino)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 41275498
N-(cyclopentylmethyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
CID 39211941
N-cyclohexyl-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
CID 7872467
6-[butyl(ethyl)sulfamoyl]-N-(furan-2-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide
CID 4096895
2-chloro-5-(diethylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 7732727
N-benzyl-6-[cyclohexyl(methyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxamide
CID 22427077
N-(5-chloro-2-methoxyphenyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
CID 26095086

Frequently Asked Questions

What is the IUPAC name of 6-(diethylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of 6-(diethylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide (CID 41365118) is 6-(diethylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for 6-(diethylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for 6-(diethylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide is CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCCc3cccc(F)c3)c2c1.
What is the InChIKey of 6-(diethylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is QONHPBHRMPRLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O4S/c1-3-26(4-2)31(29,30)17-8-9-20-18(13-17)19(14-21(27)25-20)22(28)24-11-10-15-6-5-7-16(23)12-15/h5-9,12-14H,3-4,10-11H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of 6-(diethylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
6-(diethylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 41365118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).