N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]quinoline-6-carboxamide

C25H23N3O4S — CID 156859982

IUPACN-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]quinoline-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3ncccc3c2)cc1S(=O)(=O)Nc1c(C)cccc1C
InChIInChI=1S/C25H23N3O4S/c1-16-6-4-7-17(2)24(16)28-33(30,31)23-15-20(10-12-22(23)32-3)27-25(29)19-9-11-21-18(14-19)8-5-13-26-21/h4-15,28H,1-3H3,(H,27,29)
InChIKeyBRMXTZUHEPPHND-UHFFFAOYSA-N
MW461.54 g/mol
LogP4.91
Rot. Bonds6

About N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]quinoline-6-carboxamide

N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]quinoline-6-carboxamide (PubChem CID 156859982) has the molecular formula C25H23N3O4S and a molecular weight of 461.54 g/mol. Its IUPAC name is N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]quinoline-6-carboxamide
PubChem CID156859982
Molecular FormulaC25H23N3O4S
Molecular Weight461.54 g/mol
Exact Mass461.14
IUPAC NameN-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]quinoline-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3ncccc3c2)cc1S(=O)(=O)Nc1c(C)cccc1C
InChIInChI=1S/C25H23N3O4S/c1-16-6-4-7-17(2)24(16)28-33(30,31)23-15-20(10-12-22(23)32-3)27-25(29)19-9-11-21-18(14-19)8-5-13-26-21/h4-15,28H,1-3H3,(H,27,29)
InChIKeyBRMXTZUHEPPHND-UHFFFAOYSA-N
XLogP4.91
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-3-phenylpyridine-2-carboxamide
CID 168786153
3-fluoro-4-methoxy-N-quinolin-6-ylbenzamide
CID 78878548
N-(4-ethoxy-3-methylphenyl)quinoline-6-carboxamide
CID 86874562
N-[3-[(3-hydroxybenzoyl)amino]-4-methylphenyl]quinoline-6-carboxamide
CID 18422129
3-methoxy-4-prop-2-enoxy-N-quinolin-6-ylbenzamide
CID 60555760
3-fluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 26851586
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-2,6-dimethylbenzamide
CID 71771105
N-(4-iodophenyl)quinoline-6-carboxamide
CID 60723213
2-chloro-N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-5-(trifluoromethyl)pyridine-4-carboxamide
CID 168786238
N-pyridin-4-ylquinoline-6-carboxamide
CID 53313330
N-[3-methoxy-4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]pyridine-2-carboxamide
CID 45110911
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(trifluoromethyl)benzamide
CID 34081551

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]quinoline-6-carboxamide?
The IUPAC name of N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]quinoline-6-carboxamide (CID 156859982) is N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]quinoline-6-carboxamide.
What is the SMILES notation for N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]quinoline-6-carboxamide?
The canonical SMILES for N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]quinoline-6-carboxamide is COc1ccc(NC(=O)c2ccc3ncccc3c2)cc1S(=O)(=O)Nc1c(C)cccc1C.
What is the InChIKey of N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]quinoline-6-carboxamide?
The InChIKey is BRMXTZUHEPPHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4S/c1-16-6-4-7-17(2)24(16)28-33(30,31)23-15-20(10-12-22(23)32-3)27-25(29)19-9-11-21-18(14-19)8-5-13-26-21/h4-15,28H,1-3H3,(H,27,29).
What are the key properties of N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]quinoline-6-carboxamide?
N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]quinoline-6-carboxamide has a molecular weight of 461.54 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]quinoline-6-carboxamide is sourced from PubChem (CID 156859982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).