N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]quinoline-2-carboxamide

C19H19N3O4S — CID 3265897

IUPACN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]quinoline-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C19H19N3O4S/c1-22(2)27(24,25)14-9-11-18(26-3)17(12-14)21-19(23)16-10-8-13-6-4-5-7-15(13)20-16/h4-12H,1-3H3,(H,21,23)
InChIKeyDBBXPFDWWMBIMM-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.75
Rot. Bonds5

About N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]quinoline-2-carboxamide

N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]quinoline-2-carboxamide (PubChem CID 3265897) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]quinoline-2-carboxamide
PubChem CID3265897
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]quinoline-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C19H19N3O4S/c1-22(2)27(24,25)14-9-11-18(26-3)17(12-14)21-19(23)16-10-8-13-6-4-5-7-15(13)20-16/h4-12H,1-3H3,(H,21,23)
InChIKeyDBBXPFDWWMBIMM-UHFFFAOYSA-N
XLogP2.75
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]pyridine-2-carboxamide
CID 4877827
N-(5-chloro-2-methoxyphenyl)quinoline-2-carboxamide
CID 2111763
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-quinolin-2-ylsulfanylacetamide
CID 17421537
N-[4,5-dimethoxy-2-(quinoline-2-carbonylamino)phenyl]quinoline-2-carboxamide
CID 91594053
3-(dimethylsulfamoyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 55341476
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3,4-dimethoxybenzamide
CID 7921753
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-phenylbenzamide
CID 8838647
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-methoxy-5-methylbenzamide
CID 9047184
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-naphthalen-2-yloxyacetamide
CID 26205520
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-fluorobenzamide
CID 7750677
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-6-methylpyridine-2-carboxamide
CID 31912749
2-(4-chlorophenyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-1,3-thiazole-4-carboxamide
CID 55433666

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]quinoline-2-carboxamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]quinoline-2-carboxamide (CID 3265897) is N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]quinoline-2-carboxamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]quinoline-2-carboxamide is COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc2ccccc2n1.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]quinoline-2-carboxamide?
The InChIKey is DBBXPFDWWMBIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-22(2)27(24,25)14-9-11-18(26-3)17(12-14)21-19(23)16-10-8-13-6-4-5-7-15(13)20-16/h4-12H,1-3H3,(H,21,23).
What are the key properties of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]quinoline-2-carboxamide?
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]quinoline-2-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]quinoline-2-carboxamide is sourced from PubChem (CID 3265897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).