N-[4-(ethylsulfonylamino)-3-methylphenyl]-2,6-dimethylquinoline-3-carboxamide

C21H23N3O3S — CID 47067402

IUPACN-[4-(ethylsulfonylamino)-3-methylphenyl]-2,6-dimethylquinoline-3-carboxamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)c2cc3cc(C)ccc3nc2C)cc1C
InChIInChI=1S/C21H23N3O3S/c1-5-28(26,27)24-19-9-7-17(11-14(19)3)23-21(25)18-12-16-10-13(2)6-8-20(16)22-15(18)4/h6-12,24H,5H2,1-4H3,(H,23,25)
InChIKeyJSNFUOBPNZSDEY-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.17
Rot. Bonds5

About N-[4-(ethylsulfonylamino)-3-methylphenyl]-2,6-dimethylquinoline-3-carboxamide

N-[4-(ethylsulfonylamino)-3-methylphenyl]-2,6-dimethylquinoline-3-carboxamide (PubChem CID 47067402) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[4-(ethylsulfonylamino)-3-methylphenyl]-2,6-dimethylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[4-(ethylsulfonylamino)-3-methylphenyl]-2,6-dimethylquinoline-3-carboxamide
PubChem CID47067402
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-[4-(ethylsulfonylamino)-3-methylphenyl]-2,6-dimethylquinoline-3-carboxamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)c2cc3cc(C)ccc3nc2C)cc1C
InChIInChI=1S/C21H23N3O3S/c1-5-28(26,27)24-19-9-7-17(11-14(19)3)23-21(25)18-12-16-10-13(2)6-8-20(16)22-15(18)4/h6-12,24H,5H2,1-4H3,(H,23,25)
InChIKeyJSNFUOBPNZSDEY-UHFFFAOYSA-N
XLogP4.17
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-2,6-dimethylquinoline-3-carboxamide
CID 34742642
2,6-dimethyl-N-(2-methylphenyl)quinoline-3-carboxamide
CID 51283578
N-(3-acetamido-4-methoxyphenyl)-2,6-dimethylquinoline-3-carboxamide
CID 33311358
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2,6-dimethylquinoline-4-carboxamide
CID 55947949
2,6-dimethyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]quinoline-3-carboxamide
CID 55466865
5-chloro-N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-iodobenzamide
CID 55948329
methyl 3-[(2,6-dimethylquinoline-3-carbonyl)amino]benzoate
CID 34059816
N-[3-(dimethylcarbamoyl)phenyl]-2,6-dimethylquinoline-3-carboxamide
CID 32851617
2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide;hydrochloride
CID 119298074
N-(4-bromo-2-chlorophenyl)-2,6-dimethylquinoline-3-carboxamide
CID 24562991
4-ethoxy-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide
CID 55948187
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2,6-dimethylquinoline-3-carboxamide
CID 55645214

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylsulfonylamino)-3-methylphenyl]-2,6-dimethylquinoline-3-carboxamide?
The IUPAC name of N-[4-(ethylsulfonylamino)-3-methylphenyl]-2,6-dimethylquinoline-3-carboxamide (CID 47067402) is N-[4-(ethylsulfonylamino)-3-methylphenyl]-2,6-dimethylquinoline-3-carboxamide.
What is the SMILES notation for N-[4-(ethylsulfonylamino)-3-methylphenyl]-2,6-dimethylquinoline-3-carboxamide?
The canonical SMILES for N-[4-(ethylsulfonylamino)-3-methylphenyl]-2,6-dimethylquinoline-3-carboxamide is CCS(=O)(=O)Nc1ccc(NC(=O)c2cc3cc(C)ccc3nc2C)cc1C.
What is the InChIKey of N-[4-(ethylsulfonylamino)-3-methylphenyl]-2,6-dimethylquinoline-3-carboxamide?
The InChIKey is JSNFUOBPNZSDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-5-28(26,27)24-19-9-7-17(11-14(19)3)23-21(25)18-12-16-10-13(2)6-8-20(16)22-15(18)4/h6-12,24H,5H2,1-4H3,(H,23,25).
What are the key properties of N-[4-(ethylsulfonylamino)-3-methylphenyl]-2,6-dimethylquinoline-3-carboxamide?
N-[4-(ethylsulfonylamino)-3-methylphenyl]-2,6-dimethylquinoline-3-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylsulfonylamino)-3-methylphenyl]-2,6-dimethylquinoline-3-carboxamide is sourced from PubChem (CID 47067402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).