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

C23H20FN3O5S — CID 4620966

IUPAC6-[ethyl-(4-fluorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCCN(c1ccc(F)cc1)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCc3ccco3)c(=O)c2c1
InChIInChI=1S/C23H20FN3O5S/c1-2-27(16-7-5-15(24)6-8-16)33(30,31)18-9-10-21-19(12-18)22(28)20(14-25-21)23(29)26-13-17-4-3-11-32-17/h3-12,14H,2,13H2,1H3,(H,25,28)(H,26,29)
InChIKeyZBMTXMKPFAMIDM-UHFFFAOYSA-N
MW469.49 g/mol
LogP3.41
Rot. Bonds7

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

6-[ethyl-(4-fluorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 4620966) has the molecular formula C23H20FN3O5S and a molecular weight of 469.49 g/mol. Its IUPAC name is 6-[ethyl-(4-fluorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-[ethyl-(4-fluorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide
PubChem CID4620966
Molecular FormulaC23H20FN3O5S
Molecular Weight469.49 g/mol
Exact Mass469.11
IUPAC Name6-[ethyl-(4-fluorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCCN(c1ccc(F)cc1)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCc3ccco3)c(=O)c2c1
InChIInChI=1S/C23H20FN3O5S/c1-2-27(16-7-5-15(24)6-8-16)33(30,31)18-9-10-21-19(12-18)22(28)20(14-25-21)23(29)26-13-17-4-3-11-32-17/h3-12,14H,2,13H2,1H3,(H,25,28)(H,26,29)
InChIKeyZBMTXMKPFAMIDM-UHFFFAOYSA-N
XLogP3.41
TPSA112.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.49
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(4-ethylphenyl)-methylsulfamoyl]-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide
CID 3435383
6-[(4-fluorophenyl)-methylsulfamoyl]-4-oxo-N-propyl-1H-quinoline-3-carboxamide
CID 4654060
N-butyl-6-[(4-fluorophenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
CID 126479543
N-[(3-bromophenyl)methyl]-6-(diethylsulfamoyl)-4-oxo-1H-quinoline-3-carboxamide
CID 141331207
6-[butyl(ethyl)sulfamoyl]-N-(furan-2-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide
CID 4096895
8-ethyl-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide
CID 3217744
6-(diethylsulfamoyl)-N-[(3-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 141331217
N-hexyl-4-oxo-6-[phenyl(prop-2-enyl)sulfamoyl]-1H-quinoline-3-carboxamide
CID 3519999
4-oxo-N-(2-phenylethyl)-6-[phenyl(prop-2-enyl)sulfamoyl]-1H-quinoline-3-carboxamide
CID 5210879
4-(diethylsulfamoyl)-N-(furan-2-ylmethyl)benzamide
CID 2596785
5-(diethylsulfamoyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylbenzamide
CID 9080458
6-[(3,4-dimethylphenyl)-methylsulfamoyl]-N-(2-methoxyethyl)-4-oxo-1H-quinoline-3-carboxamide
CID 3371833

Frequently Asked Questions

What is the IUPAC name of 6-[ethyl-(4-fluorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 6-[ethyl-(4-fluorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide (CID 4620966) is 6-[ethyl-(4-fluorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-[ethyl-(4-fluorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-[ethyl-(4-fluorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide is CCN(c1ccc(F)cc1)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCc3ccco3)c(=O)c2c1.
What is the InChIKey of 6-[ethyl-(4-fluorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is ZBMTXMKPFAMIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O5S/c1-2-27(16-7-5-15(24)6-8-16)33(30,31)18-9-10-21-19(12-18)22(28)20(14-25-21)23(29)26-13-17-4-3-11-32-17/h3-12,14H,2,13H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 6-[ethyl-(4-fluorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide?
6-[ethyl-(4-fluorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 469.49 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl-(4-fluorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 4620966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).