2,6-dimethyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]quinoline-3-carboxamide

C22H25N3O3S — CID 55466865

IUPAC2,6-dimethyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]quinoline-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)Nc3ccc(S(=O)(=O)N(C)C(C)C)cc3)cc2c1
InChIInChI=1S/C22H25N3O3S/c1-14(2)25(5)29(27,28)19-9-7-18(8-10-19)24-22(26)20-13-17-12-15(3)6-11-21(17)23-16(20)4/h6-14H,1-5H3,(H,24,26)
InChIKeyMXJQURSEESVAQD-UHFFFAOYSA-N
MW411.53 g/mol
LogP4.13
Rot. Bonds5

About 2,6-dimethyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]quinoline-3-carboxamide

2,6-dimethyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]quinoline-3-carboxamide (PubChem CID 55466865) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is 2,6-dimethyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]quinoline-3-carboxamide
PubChem CID55466865
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC Name2,6-dimethyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]quinoline-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)Nc3ccc(S(=O)(=O)N(C)C(C)C)cc3)cc2c1
InChIInChI=1S/C22H25N3O3S/c1-14(2)25(5)29(27,28)19-9-7-18(8-10-19)24-22(26)20-13-17-12-15(3)6-11-21(17)23-16(20)4/h6-14H,1-5H3,(H,24,26)
InChIKeyMXJQURSEESVAQD-UHFFFAOYSA-N
XLogP4.13
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-2,6-dimethylquinoline-3-carboxamide
CID 34742642
N-[3-(dimethylcarbamoyl)phenyl]-2,6-dimethylquinoline-3-carboxamide
CID 32851617
N-[4-(ethylsulfonylamino)-3-methylphenyl]-2,6-dimethylquinoline-3-carboxamide
CID 47067402
N-(4-ethylsulfonylphenyl)-6-methoxy-2-methylquinoline-3-carboxamide
CID 39862992
5-fluoro-2-methoxy-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
CID 31120180
3,4-dichloro-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
CID 8759609
2-bromo-5-fluoro-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
CID 26369634
methyl 3-[(2,6-dimethylquinoline-3-carbonyl)amino]benzoate
CID 34059816
N-(3-acetamido-4-methoxyphenyl)-2,6-dimethylquinoline-3-carboxamide
CID 33311358
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2,6-dimethylquinoline-3-carboxamide
CID 55645214
2,6-dimethyl-N-(2-methylphenyl)quinoline-3-carboxamide
CID 51283578
2-(4-methylphenyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide
CID 9224098

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]quinoline-3-carboxamide?
The IUPAC name of 2,6-dimethyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]quinoline-3-carboxamide (CID 55466865) is 2,6-dimethyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]quinoline-3-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]quinoline-3-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]quinoline-3-carboxamide is Cc1ccc2nc(C)c(C(=O)Nc3ccc(S(=O)(=O)N(C)C(C)C)cc3)cc2c1.
What is the InChIKey of 2,6-dimethyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]quinoline-3-carboxamide?
The InChIKey is MXJQURSEESVAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-14(2)25(5)29(27,28)19-9-7-18(8-10-19)24-22(26)20-13-17-12-15(3)6-11-21(17)23-16(20)4/h6-14H,1-5H3,(H,24,26).
What are the key properties of 2,6-dimethyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]quinoline-3-carboxamide?
2,6-dimethyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]quinoline-3-carboxamide has a molecular weight of 411.53 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]quinoline-3-carboxamide is sourced from PubChem (CID 55466865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).