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

C21H25N3O5S — CID 4096895

IUPAC6-[butyl(ethyl)sulfamoyl]-N-(furan-2-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide
SMILESCCCCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCc3ccco3)c2c1
InChIInChI=1S/C21H25N3O5S/c1-3-5-10-24(4-2)30(27,28)16-8-9-19-17(12-16)18(13-20(25)23-19)21(26)22-14-15-7-6-11-29-15/h6-9,11-13H,3-5,10,14H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyYTELHCFIBZPWPK-UHFFFAOYSA-N
MW431.51 g/mol
LogP2.86
Rot. Bonds9

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

6-[butyl(ethyl)sulfamoyl]-N-(furan-2-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 4096895) has the molecular formula C21H25N3O5S and a molecular weight of 431.51 g/mol. Its IUPAC name is 6-[butyl(ethyl)sulfamoyl]-N-(furan-2-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name6-[butyl(ethyl)sulfamoyl]-N-(furan-2-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide
PubChem CID4096895
Molecular FormulaC21H25N3O5S
Molecular Weight431.51 g/mol
Exact Mass431.15
IUPAC Name6-[butyl(ethyl)sulfamoyl]-N-(furan-2-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide
SMILESCCCCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCc3ccco3)c2c1
InChIInChI=1S/C21H25N3O5S/c1-3-5-10-24(4-2)30(27,28)16-8-9-19-17(12-16)18(13-20(25)23-19)21(26)22-14-15-7-6-11-29-15/h6-9,11-13H,3-5,10,14H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyYTELHCFIBZPWPK-UHFFFAOYSA-N
XLogP2.86
TPSA112.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 119384301
5-(diethylsulfamoyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylbenzamide
CID 9080458
6-(diethylsulfamoyl)-N-[2-(methylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide
CID 120829777
4-(diethylsulfamoyl)-N-(furan-2-ylmethyl)benzamide
CID 2596785
N-(cyclopentylmethyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
CID 39211941
6-(diethylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 41365118
6-(diethylsulfamoyl)-N-[2-(2-nitroanilino)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 41275498
N-cyclohexyl-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
CID 7872467
6-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 42907174
6-[ethyl-(4-fluorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide
CID 4620966
3-(dipropylsulfamoyl)-N-(furan-2-ylmethyl)benzamide
CID 26909549
N-[2-(cyclohexen-1-yl)ethyl]-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
CID 27666353

Frequently Asked Questions

What is the IUPAC name of 6-[butyl(ethyl)sulfamoyl]-N-(furan-2-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of 6-[butyl(ethyl)sulfamoyl]-N-(furan-2-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide (CID 4096895) is 6-[butyl(ethyl)sulfamoyl]-N-(furan-2-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for 6-[butyl(ethyl)sulfamoyl]-N-(furan-2-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for 6-[butyl(ethyl)sulfamoyl]-N-(furan-2-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide is CCCCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCc3ccco3)c2c1.
What is the InChIKey of 6-[butyl(ethyl)sulfamoyl]-N-(furan-2-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is YTELHCFIBZPWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5S/c1-3-5-10-24(4-2)30(27,28)16-8-9-19-17(12-16)18(13-20(25)23-19)21(26)22-14-15-7-6-11-29-15/h6-9,11-13H,3-5,10,14H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of 6-[butyl(ethyl)sulfamoyl]-N-(furan-2-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide?
6-[butyl(ethyl)sulfamoyl]-N-(furan-2-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 431.51 g/mol, XLogP of 2.86, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[butyl(ethyl)sulfamoyl]-N-(furan-2-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 4096895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).