N-benzyl-6-[cyclohexyl(methyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxamide

C24H27N3O4S — CID 22427077

IUPACN-benzyl-6-[cyclohexyl(methyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCc3ccccc3)c2c1
InChIInChI=1S/C24H27N3O4S/c1-27(18-10-6-3-7-11-18)32(30,31)19-12-13-22-20(14-19)21(15-23(28)26-22)24(29)25-16-17-8-4-2-5-9-17/h2,4-5,8-9,12-15,18H,3,6-7,10-11,16H2,1H3,(H,25,29)(H,26,28)
InChIKeyNCMHSEXPOZWTLY-UHFFFAOYSA-N
MW453.56 g/mol
LogP3.41
Rot. Bonds6

About N-benzyl-6-[cyclohexyl(methyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxamide

N-benzyl-6-[cyclohexyl(methyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 22427077) has the molecular formula C24H27N3O4S and a molecular weight of 453.56 g/mol. Its IUPAC name is N-benzyl-6-[cyclohexyl(methyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-[cyclohexyl(methyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID22427077
Molecular FormulaC24H27N3O4S
Molecular Weight453.56 g/mol
Exact Mass453.17
IUPAC NameN-benzyl-6-[cyclohexyl(methyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCc3ccccc3)c2c1
InChIInChI=1S/C24H27N3O4S/c1-27(18-10-6-3-7-11-18)32(30,31)19-12-13-22-20(14-19)21(15-23(28)26-22)24(29)25-16-17-8-4-2-5-9-17/h2,4-5,8-9,12-15,18H,3,6-7,10-11,16H2,1H3,(H,25,29)(H,26,28)
InChIKeyNCMHSEXPOZWTLY-UHFFFAOYSA-N
XLogP3.41
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopentylmethyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
CID 39211941
N-cyclohexyl-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
CID 7872467
2-[[6-(azepan-1-ylsulfonyl)-2-oxo-1H-quinoline-4-carbonyl]amino]ethyl-benzyl-methylazanium
CID 5086035
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 26447386
6-(azepan-1-ylsulfonyl)-N-[3-(4-benzylpiperidin-1-yl)propyl]-2-oxo-1H-quinoline-4-carboxamide
CID 46372035
N-[[3-(methylsulfamoyl)phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 34687096
6-(diethylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 41365118
N-[3-[benzyl(butyl)amino]propyl]-6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 129448141
N-(2-aminoethyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 119384301
N-[(4-fluorophenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 3617215
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 17439492
N-(1,3-benzodioxol-5-ylmethyl)-6-[cyclohexyl(methyl)sulfamoyl]-1-ethyl-4-oxoquinoline-3-carboxamide
CID 20859318

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-[cyclohexyl(methyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-benzyl-6-[cyclohexyl(methyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxamide (CID 22427077) is N-benzyl-6-[cyclohexyl(methyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-benzyl-6-[cyclohexyl(methyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-benzyl-6-[cyclohexyl(methyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxamide is CN(C1CCCCC1)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCc3ccccc3)c2c1.
What is the InChIKey of N-benzyl-6-[cyclohexyl(methyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is NCMHSEXPOZWTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S/c1-27(18-10-6-3-7-11-18)32(30,31)19-12-13-22-20(14-19)21(15-23(28)26-22)24(29)25-16-17-8-4-2-5-9-17/h2,4-5,8-9,12-15,18H,3,6-7,10-11,16H2,1H3,(H,25,29)(H,26,28).
What are the key properties of N-benzyl-6-[cyclohexyl(methyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxamide?
N-benzyl-6-[cyclohexyl(methyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 453.56 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-[cyclohexyl(methyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 22427077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).