6-(diethylsulfamoyl)-2-(2,5-dimethylthiophen-3-yl)quinoline-4-carboxylic acid

C20H22N2O4S2 — CID 3333930

IUPAC6-(diethylsulfamoyl)-2-(2,5-dimethylthiophen-3-yl)quinoline-4-carboxylic acid
SMILESCCN(CC)S(=O)(=O)c1ccc2nc(-c3cc(C)sc3C)cc(C(=O)O)c2c1
InChIInChI=1S/C20H22N2O4S2/c1-5-22(6-2)28(25,26)14-7-8-18-16(10-14)17(20(23)24)11-19(21-18)15-9-12(3)27-13(15)4/h7-11H,5-6H2,1-4H3,(H,23,24)
InChIKeyZHEDERLJOCVGBX-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.31
Rot. Bonds6

About 6-(diethylsulfamoyl)-2-(2,5-dimethylthiophen-3-yl)quinoline-4-carboxylic acid

6-(diethylsulfamoyl)-2-(2,5-dimethylthiophen-3-yl)quinoline-4-carboxylic acid (PubChem CID 3333930) has the molecular formula C20H22N2O4S2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 6-(diethylsulfamoyl)-2-(2,5-dimethylthiophen-3-yl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-(diethylsulfamoyl)-2-(2,5-dimethylthiophen-3-yl)quinoline-4-carboxylic acid
PubChem CID3333930
Molecular FormulaC20H22N2O4S2
Molecular Weight418.54 g/mol
Exact Mass418.10
IUPAC Name6-(diethylsulfamoyl)-2-(2,5-dimethylthiophen-3-yl)quinoline-4-carboxylic acid
SMILESCCN(CC)S(=O)(=O)c1ccc2nc(-c3cc(C)sc3C)cc(C(=O)O)c2c1
InChIInChI=1S/C20H22N2O4S2/c1-5-22(6-2)28(25,26)14-7-8-18-16(10-14)17(20(23)24)11-19(21-18)15-9-12(3)27-13(15)4/h7-11H,5-6H2,1-4H3,(H,23,24)
InChIKeyZHEDERLJOCVGBX-UHFFFAOYSA-N
XLogP4.31
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(diethylsulfamoyl)-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 5179374
6-(diethylsulfamoyl)-2-(7-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid
CID 3588833
6-(dimethylsulfamoyl)-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 3374925
4-(diethylsulfamoyl)-2-hydroxybenzoic acid
CID 23009711
5-(diethylsulfamoyl)-1-methylindole-3-carboxylic acid
CID 663444
6-(dimethylsulfamoyl)-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid
CID 4645947
N-[4-(diethylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide;methane
CID 158402633
5-(diethylsulfamoyl)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 35983232
2-(2,5-dimethylthiophen-3-yl)-4-methylquinoline
CID 8966475
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2,5-dimethylthiophene-3-carboxamide
CID 55384187
6-(dimethylsulfamoyl)-2-(3-methoxyphenyl)quinoline-4-carboxylic acid
CID 3889769
N-(1,3-benzothiazol-2-ylmethyl)-2-chloro-5-(diethylsulfamoyl)-N-methylbenzamide
CID 41440134

Frequently Asked Questions

What is the IUPAC name of 6-(diethylsulfamoyl)-2-(2,5-dimethylthiophen-3-yl)quinoline-4-carboxylic acid?
The IUPAC name of 6-(diethylsulfamoyl)-2-(2,5-dimethylthiophen-3-yl)quinoline-4-carboxylic acid (CID 3333930) is 6-(diethylsulfamoyl)-2-(2,5-dimethylthiophen-3-yl)quinoline-4-carboxylic acid.
What is the SMILES notation for 6-(diethylsulfamoyl)-2-(2,5-dimethylthiophen-3-yl)quinoline-4-carboxylic acid?
The canonical SMILES for 6-(diethylsulfamoyl)-2-(2,5-dimethylthiophen-3-yl)quinoline-4-carboxylic acid is CCN(CC)S(=O)(=O)c1ccc2nc(-c3cc(C)sc3C)cc(C(=O)O)c2c1.
What is the InChIKey of 6-(diethylsulfamoyl)-2-(2,5-dimethylthiophen-3-yl)quinoline-4-carboxylic acid?
The InChIKey is ZHEDERLJOCVGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S2/c1-5-22(6-2)28(25,26)14-7-8-18-16(10-14)17(20(23)24)11-19(21-18)15-9-12(3)27-13(15)4/h7-11H,5-6H2,1-4H3,(H,23,24).
What are the key properties of 6-(diethylsulfamoyl)-2-(2,5-dimethylthiophen-3-yl)quinoline-4-carboxylic acid?
6-(diethylsulfamoyl)-2-(2,5-dimethylthiophen-3-yl)quinoline-4-carboxylic acid has a molecular weight of 418.54 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylsulfamoyl)-2-(2,5-dimethylthiophen-3-yl)quinoline-4-carboxylic acid is sourced from PubChem (CID 3333930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).