2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(furan-2-yl)quinoline-4-carboxylate

C24H22N2O6S — CID 55442123

IUPAC2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(furan-2-yl)quinoline-4-carboxylate
SMILESCN(C)S(=O)(=O)c1ccc(OCCOC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1
InChIInChI=1S/C24H22N2O6S/c1-26(2)33(28,29)18-11-9-17(10-12-18)30-14-15-32-24(27)20-16-22(23-8-5-13-31-23)25-21-7-4-3-6-19(20)21/h3-13,16H,14-15H2,1-2H3
InChIKeyNBAQHTHBYNJYAC-UHFFFAOYSA-N
MW466.52 g/mol
LogP3.98
Rot. Bonds8

About 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(furan-2-yl)quinoline-4-carboxylate

2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(furan-2-yl)quinoline-4-carboxylate (PubChem CID 55442123) has the molecular formula C24H22N2O6S and a molecular weight of 466.52 g/mol. Its IUPAC name is 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(furan-2-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Name2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(furan-2-yl)quinoline-4-carboxylate
PubChem CID55442123
Molecular FormulaC24H22N2O6S
Molecular Weight466.52 g/mol
Exact Mass466.12
IUPAC Name2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(furan-2-yl)quinoline-4-carboxylate
SMILESCN(C)S(=O)(=O)c1ccc(OCCOC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1
InChIInChI=1S/C24H22N2O6S/c1-26(2)33(28,29)18-11-9-17(10-12-18)30-14-15-32-24(27)20-16-22(23-8-5-13-31-23)25-21-7-4-3-6-19(20)21/h3-13,16H,14-15H2,1-2H3
InChIKeyNBAQHTHBYNJYAC-UHFFFAOYSA-N
XLogP3.98
TPSA98.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.52
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylphenoxy)ethyl 2-(furan-2-yl)quinoline-4-carboxylate
CID 7825231
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 9330812
(2-anilino-2-oxoethyl) 2-(furan-2-yl)quinoline-4-carboxylate
CID 2353514
[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 39967131
2-(3-bromophenoxy)ethyl 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 4008929
N-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 167851966
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 7825238
[(2S)-1-amino-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 7395384
[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 9330721
[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2369156
(1,3-dioxoisoindol-2-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate
CID 7825277
(2-oxo-2-pyrrolidin-1-ylethyl) 2-(furan-2-yl)quinoline-4-carboxylate
CID 2089799

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(furan-2-yl)quinoline-4-carboxylate?
The IUPAC name of 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(furan-2-yl)quinoline-4-carboxylate (CID 55442123) is 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(furan-2-yl)quinoline-4-carboxylate.
What is the SMILES notation for 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(furan-2-yl)quinoline-4-carboxylate?
The canonical SMILES for 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(furan-2-yl)quinoline-4-carboxylate is CN(C)S(=O)(=O)c1ccc(OCCOC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1.
What is the InChIKey of 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(furan-2-yl)quinoline-4-carboxylate?
The InChIKey is NBAQHTHBYNJYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O6S/c1-26(2)33(28,29)18-11-9-17(10-12-18)30-14-15-32-24(27)20-16-22(23-8-5-13-31-23)25-21-7-4-3-6-19(20)21/h3-13,16H,14-15H2,1-2H3.
What are the key properties of 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(furan-2-yl)quinoline-4-carboxylate?
2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(furan-2-yl)quinoline-4-carboxylate has a molecular weight of 466.52 g/mol, XLogP of 3.98, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(furan-2-yl)quinoline-4-carboxylate is sourced from PubChem (CID 55442123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).