N-benzyl-6-(dimethylsulfamoyl)-1-ethyl-4-oxoquinoline-3-carboxamide

C21H23N3O4S — CID 20859222

IUPACN-benzyl-6-(dimethylsulfamoyl)-1-ethyl-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)NCc2ccccc2)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C21H23N3O4S/c1-4-24-14-18(21(26)22-13-15-8-6-5-7-9-15)20(25)17-12-16(10-11-19(17)24)29(27,28)23(2)3/h5-12,14H,4,13H2,1-3H3,(H,22,26)
InChIKeyZKYUFZHLRPPETK-UHFFFAOYSA-N
MW413.50 g/mol
LogP2.20
Rot. Bonds6

About N-benzyl-6-(dimethylsulfamoyl)-1-ethyl-4-oxoquinoline-3-carboxamide

N-benzyl-6-(dimethylsulfamoyl)-1-ethyl-4-oxoquinoline-3-carboxamide (PubChem CID 20859222) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-benzyl-6-(dimethylsulfamoyl)-1-ethyl-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(dimethylsulfamoyl)-1-ethyl-4-oxoquinoline-3-carboxamide
PubChem CID20859222
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC NameN-benzyl-6-(dimethylsulfamoyl)-1-ethyl-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)NCc2ccccc2)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C21H23N3O4S/c1-4-24-14-18(21(26)22-13-15-8-6-5-7-9-15)20(25)17-12-16(10-11-19(17)24)29(27,28)23(2)3/h5-12,14H,4,13H2,1-3H3,(H,22,26)
InChIKeyZKYUFZHLRPPETK-UHFFFAOYSA-N
XLogP2.20
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chlorophenyl)methyl]-6-(dimethylsulfamoyl)-1-ethyl-4-oxoquinoline-3-carboxamide
CID 6622234
N-[2-(diethylamino)ethyl]-6-(dimethylsulfamoyl)-1-ethyl-4-oxoquinoline-3-carboxamide
CID 5308234
N-benzyl-6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1-ethyl-4-oxoquinoline-3-carboxamide
CID 20859368
N-benzyl-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850863
N-(1,3-benzodioxol-5-ylmethyl)-6-[cyclohexyl(methyl)sulfamoyl]-1-ethyl-4-oxoquinoline-3-carboxamide
CID 20859318
3-(2,3-dihydroindole-1-carbonyl)-1-ethyl-N,N-dimethyl-4-oxoquinoline-6-sulfonamide
CID 126457207
1-ethyl-N,N-dimethyl-3-(morpholine-4-carbonyl)-4-oxoquinoline-6-sulfonamide
CID 5309747
1-ethyl-6-methyl-4-oxo-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide
CID 30132048
N-[2-[benzyl(propan-2-yl)amino]ethyl]-1-ethyl-4-oxo-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide
CID 20859262
1-ethyl-N-[2-(N-ethylanilino)ethyl]-4-oxo-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide
CID 20859261
6-[cyclohexyl(methyl)sulfamoyl]-1-ethyl-N-(3-methoxypropyl)-4-oxoquinoline-3-carboxamide
CID 5307227
1-ethyl-6-methoxy-N-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carboxamide
CID 30132807

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(dimethylsulfamoyl)-1-ethyl-4-oxoquinoline-3-carboxamide?
The IUPAC name of N-benzyl-6-(dimethylsulfamoyl)-1-ethyl-4-oxoquinoline-3-carboxamide (CID 20859222) is N-benzyl-6-(dimethylsulfamoyl)-1-ethyl-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-benzyl-6-(dimethylsulfamoyl)-1-ethyl-4-oxoquinoline-3-carboxamide?
The canonical SMILES for N-benzyl-6-(dimethylsulfamoyl)-1-ethyl-4-oxoquinoline-3-carboxamide is CCn1cc(C(=O)NCc2ccccc2)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21.
What is the InChIKey of N-benzyl-6-(dimethylsulfamoyl)-1-ethyl-4-oxoquinoline-3-carboxamide?
The InChIKey is ZKYUFZHLRPPETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-4-24-14-18(21(26)22-13-15-8-6-5-7-9-15)20(25)17-12-16(10-11-19(17)24)29(27,28)23(2)3/h5-12,14H,4,13H2,1-3H3,(H,22,26).
What are the key properties of N-benzyl-6-(dimethylsulfamoyl)-1-ethyl-4-oxoquinoline-3-carboxamide?
N-benzyl-6-(dimethylsulfamoyl)-1-ethyl-4-oxoquinoline-3-carboxamide has a molecular weight of 413.50 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(dimethylsulfamoyl)-1-ethyl-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 20859222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).