6-[2-cyanoethyl(methyl)sulfamoyl]-N-cyclohexyl-N-methyl-4-oxo-1H-quinoline-3-carboxamide

C21H26N4O4S — CID 23877208

IUPAC6-[2-cyanoethyl(methyl)sulfamoyl]-N-cyclohexyl-N-methyl-4-oxo-1H-quinoline-3-carboxamide
SMILESCN(C(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)CCC#N)cc2c1=O)C1CCCCC1
InChIInChI=1S/C21H26N4O4S/c1-24(12-6-11-22)30(28,29)16-9-10-19-17(13-16)20(26)18(14-23-19)21(27)25(2)15-7-4-3-5-8-15/h9-10,13-15H,3-8,12H2,1-2H3,(H,23,26)
InChIKeyVBEWZLYVQHPFEL-UHFFFAOYSA-N
MW430.53 g/mol
LogP2.47
Rot. Bonds6

About 6-[2-cyanoethyl(methyl)sulfamoyl]-N-cyclohexyl-N-methyl-4-oxo-1H-quinoline-3-carboxamide

6-[2-cyanoethyl(methyl)sulfamoyl]-N-cyclohexyl-N-methyl-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 23877208) has the molecular formula C21H26N4O4S and a molecular weight of 430.53 g/mol. Its IUPAC name is 6-[2-cyanoethyl(methyl)sulfamoyl]-N-cyclohexyl-N-methyl-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-[2-cyanoethyl(methyl)sulfamoyl]-N-cyclohexyl-N-methyl-4-oxo-1H-quinoline-3-carboxamide
PubChem CID23877208
Molecular FormulaC21H26N4O4S
Molecular Weight430.53 g/mol
Exact Mass430.17
IUPAC Name6-[2-cyanoethyl(methyl)sulfamoyl]-N-cyclohexyl-N-methyl-4-oxo-1H-quinoline-3-carboxamide
SMILESCN(C(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)CCC#N)cc2c1=O)C1CCCCC1
InChIInChI=1S/C21H26N4O4S/c1-24(12-6-11-22)30(28,29)16-9-10-19-17(13-16)20(26)18(14-23-19)21(27)25(2)15-7-4-3-5-8-15/h9-10,13-15H,3-8,12H2,1-2H3,(H,23,26)
InChIKeyVBEWZLYVQHPFEL-UHFFFAOYSA-N
XLogP2.47
TPSA114.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[2-cyanoethyl(methyl)sulfamoyl]-N-cyclohexyl-N-methyl-4-oxo-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

8-[2-cyanoethyl(methyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
CID 68564236
6-[benzyl(methyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylate
CID 4050234
4-(3-cyano-1H-indol-5-yl)-N-cyclopentyl-N-methylbenzamide
CID 129191371
6-(cyclohexylsulfamoyl)-4-oxo-1H-quinoline-3-carboxylate
CID 5061749
5-[2-cyanoethyl(methyl)sulfamoyl]-2-methoxybenzoic acid
CID 43323996
6-[ethyl(phenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid
CID 3513999
6-[(4-fluorophenyl)-methylsulfamoyl]-4-oxo-N-propyl-1H-quinoline-3-carboxamide
CID 4654060
N-cyclohexyl-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 55537250
2-[cyclohexyl(methyl)amino]-1-(5-methyl-1H-indol-3-yl)ethanone
CID 2013269
6-[(3,5-dimethylphenyl)sulfamoyl]-N,N-diethyl-4-oxo-1H-quinoline-3-carboxamide
CID 3245541
6-[methyl-(2-methylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylate
CID 4121031
4-chloro-N-(2-cyanoethyl)-N,3-dimethylbenzenesulfonamide
CID 39371978

Frequently Asked Questions

What is the IUPAC name of 6-[2-cyanoethyl(methyl)sulfamoyl]-N-cyclohexyl-N-methyl-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 6-[2-cyanoethyl(methyl)sulfamoyl]-N-cyclohexyl-N-methyl-4-oxo-1H-quinoline-3-carboxamide (CID 23877208) is 6-[2-cyanoethyl(methyl)sulfamoyl]-N-cyclohexyl-N-methyl-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-[2-cyanoethyl(methyl)sulfamoyl]-N-cyclohexyl-N-methyl-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-[2-cyanoethyl(methyl)sulfamoyl]-N-cyclohexyl-N-methyl-4-oxo-1H-quinoline-3-carboxamide is CN(C(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)CCC#N)cc2c1=O)C1CCCCC1.
What is the InChIKey of 6-[2-cyanoethyl(methyl)sulfamoyl]-N-cyclohexyl-N-methyl-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is VBEWZLYVQHPFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4S/c1-24(12-6-11-22)30(28,29)16-9-10-19-17(13-16)20(26)18(14-23-19)21(27)25(2)15-7-4-3-5-8-15/h9-10,13-15H,3-8,12H2,1-2H3,(H,23,26).
What are the key properties of 6-[2-cyanoethyl(methyl)sulfamoyl]-N-cyclohexyl-N-methyl-4-oxo-1H-quinoline-3-carboxamide?
6-[2-cyanoethyl(methyl)sulfamoyl]-N-cyclohexyl-N-methyl-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 430.53 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-cyanoethyl(methyl)sulfamoyl]-N-cyclohexyl-N-methyl-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 23877208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).