2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-ethyl-4-methylquinoline-3-carboxylate

C23H26N2O5S — CID 24522198

IUPAC2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-ethyl-4-methylquinoline-3-carboxylate
SMILESCCc1nc2ccccc2c(C)c1C(=O)OCCOc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C23H26N2O5S/c1-5-20-22(16(2)19-8-6-7-9-21(19)24-20)23(26)30-15-14-29-17-10-12-18(13-11-17)31(27,28)25(3)4/h6-13H,5,14-15H2,1-4H3
InChIKeyKRSYDNLPJREKKR-UHFFFAOYSA-N
MW442.54 g/mol
LogP3.59
Rot. Bonds8

About 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-ethyl-4-methylquinoline-3-carboxylate

2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-ethyl-4-methylquinoline-3-carboxylate (PubChem CID 24522198) has the molecular formula C23H26N2O5S and a molecular weight of 442.54 g/mol. Its IUPAC name is 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-ethyl-4-methylquinoline-3-carboxylate.

Molecular Properties

Compound Name2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-ethyl-4-methylquinoline-3-carboxylate
PubChem CID24522198
Molecular FormulaC23H26N2O5S
Molecular Weight442.54 g/mol
Exact Mass442.16
IUPAC Name2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-ethyl-4-methylquinoline-3-carboxylate
SMILESCCc1nc2ccccc2c(C)c1C(=O)OCCOc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C23H26N2O5S/c1-5-20-22(16(2)19-8-6-7-9-21(19)24-20)23(26)30-15-14-29-17-10-12-18(13-11-17)31(27,28)25(3)4/h6-13H,5,14-15H2,1-4H3
InChIKeyKRSYDNLPJREKKR-UHFFFAOYSA-N
XLogP3.59
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dichlorophenoxy)ethyl 2-ethyl-4-methylquinoline-3-carboxylate
CID 7502470
ethyl 4-methyl-2-[(4-methylsulfonylphenoxy)methyl]quinoline-3-carboxylate
CID 55590399
2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(furan-2-yl)quinoline-4-carboxylate
CID 55442123
(4-methylphenyl)methyl 2-ethyl-4-methylquinoline-3-carboxylate
CID 7501789
[2-oxo-2-(propylamino)ethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 7502181
2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(4-ethylphenoxy)acetate
CID 39415083
2-[4-(dimethylsulfamoyl)phenoxy]ethyl 3-bromo-1H-indole-2-carboxylate
CID 55703916
2-(4-chlorophenoxy)ethyl 4-(dimethylsulfamoyl)benzoate
CID 2602447
2-[4-(dimethylsulfamoyl)phenoxy]ethyl 3-fluoro-4-methylbenzoate
CID 9381384
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 7501904
[2-(4-tert-butylphenyl)-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 7501896
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 8668121

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-ethyl-4-methylquinoline-3-carboxylate?
The IUPAC name of 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-ethyl-4-methylquinoline-3-carboxylate (CID 24522198) is 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-ethyl-4-methylquinoline-3-carboxylate.
What is the SMILES notation for 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-ethyl-4-methylquinoline-3-carboxylate?
The canonical SMILES for 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-ethyl-4-methylquinoline-3-carboxylate is CCc1nc2ccccc2c(C)c1C(=O)OCCOc1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-ethyl-4-methylquinoline-3-carboxylate?
The InChIKey is KRSYDNLPJREKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5S/c1-5-20-22(16(2)19-8-6-7-9-21(19)24-20)23(26)30-15-14-29-17-10-12-18(13-11-17)31(27,28)25(3)4/h6-13H,5,14-15H2,1-4H3.
What are the key properties of 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-ethyl-4-methylquinoline-3-carboxylate?
2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-ethyl-4-methylquinoline-3-carboxylate has a molecular weight of 442.54 g/mol, XLogP of 3.59, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-ethyl-4-methylquinoline-3-carboxylate is sourced from PubChem (CID 24522198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).