N-tert-butyl-6-[(2,5-dimethylphenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide

C23H27N3O4S — CID 15996400

IUPACN-tert-butyl-6-[(2,5-dimethylphenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCc1ccc(C)c(N(C)S(=O)(=O)c2ccc3[nH]cc(C(=O)NC(C)(C)C)c(=O)c3c2)c1
InChIInChI=1S/C23H27N3O4S/c1-14-7-8-15(2)20(11-14)26(6)31(29,30)16-9-10-19-17(12-16)21(27)18(13-24-19)22(28)25-23(3,4)5/h7-13H,1-6H3,(H,24,27)(H,25,28)
InChIKeyGIXQQGQEFYAKBH-UHFFFAOYSA-N
MW441.55 g/mol
LogP3.50
Rot. Bonds4

About N-tert-butyl-6-[(2,5-dimethylphenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide

N-tert-butyl-6-[(2,5-dimethylphenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 15996400) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is N-tert-butyl-6-[(2,5-dimethylphenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-6-[(2,5-dimethylphenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID15996400
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC NameN-tert-butyl-6-[(2,5-dimethylphenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCc1ccc(C)c(N(C)S(=O)(=O)c2ccc3[nH]cc(C(=O)NC(C)(C)C)c(=O)c3c2)c1
InChIInChI=1S/C23H27N3O4S/c1-14-7-8-15(2)20(11-14)26(6)31(29,30)16-9-10-19-17(12-16)21(27)18(13-24-19)22(28)25-23(3,4)5/h7-13H,1-6H3,(H,24,27)(H,25,28)
InChIKeyGIXQQGQEFYAKBH-UHFFFAOYSA-N
XLogP3.50
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-6-[(4-chlorophenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
CID 4615282
6-[methyl-(2-methylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylate
CID 4121031
6-[(3,4-dimethylphenyl)-methylsulfamoyl]-4-oxo-N-propan-2-yl-1H-quinoline-3-carboxamide
CID 3465923
6-[(3,4-dimethylphenyl)-methylsulfamoyl]-N-(2-methoxyethyl)-4-oxo-1H-quinoline-3-carboxamide
CID 3371833
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-methoxypropyl)-6-[methyl-(4-propan-2-ylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
CID 3293430
N-[(3-bromophenyl)methyl]-6-(diethylsulfamoyl)-4-oxo-1H-quinoline-3-carboxamide
CID 141331207
6-[benzyl(methyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylate
CID 4050234
6-(diethylsulfamoyl)-N-[(3-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 141331217
6-[(2-ethoxyphenyl)-methylsulfamoyl]-4-oxo-N-(pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide
CID 3413662
6-(diethylsulfamoyl)-4-oxo-N-(4-phenylbutan-2-yl)-1H-quinoline-3-carboxamide
CID 5216666

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-[(2,5-dimethylphenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-tert-butyl-6-[(2,5-dimethylphenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide (CID 15996400) is N-tert-butyl-6-[(2,5-dimethylphenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-tert-butyl-6-[(2,5-dimethylphenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-tert-butyl-6-[(2,5-dimethylphenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide is Cc1ccc(C)c(N(C)S(=O)(=O)c2ccc3[nH]cc(C(=O)NC(C)(C)C)c(=O)c3c2)c1.
What is the InChIKey of N-tert-butyl-6-[(2,5-dimethylphenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is GIXQQGQEFYAKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S/c1-14-7-8-15(2)20(11-14)26(6)31(29,30)16-9-10-19-17(12-16)21(27)18(13-24-19)22(28)25-23(3,4)5/h7-13H,1-6H3,(H,24,27)(H,25,28).
What are the key properties of N-tert-butyl-6-[(2,5-dimethylphenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide?
N-tert-butyl-6-[(2,5-dimethylphenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 441.55 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-[(2,5-dimethylphenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 15996400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).