2-(2-methoxyethoxy)-N-(3-methyl-2-oxo-1H-quinolin-6-yl)ethanesulfonamide

C15H20N2O5S — CID 127265969

IUPAC2-(2-methoxyethoxy)-N-(3-methyl-2-oxo-1H-quinolin-6-yl)ethanesulfonamide
SMILESCOCCOCCS(=O)(=O)Nc1ccc2[nH]c(=O)c(C)cc2c1
InChIInChI=1S/C15H20N2O5S/c1-11-9-12-10-13(3-4-14(12)16-15(11)18)17-23(19,20)8-7-22-6-5-21-2/h3-4,9-10,17H,5-8H2,1-2H3,(H,16,18)
InChIKeyMHPPXGHEFZLJCZ-UHFFFAOYSA-N
MW340.40 g/mol
LogP1.24
Rot. Bonds8

About 2-(2-methoxyethoxy)-N-(3-methyl-2-oxo-1H-quinolin-6-yl)ethanesulfonamide

2-(2-methoxyethoxy)-N-(3-methyl-2-oxo-1H-quinolin-6-yl)ethanesulfonamide (PubChem CID 127265969) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-(3-methyl-2-oxo-1H-quinolin-6-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-(3-methyl-2-oxo-1H-quinolin-6-yl)ethanesulfonamide
PubChem CID127265969
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name2-(2-methoxyethoxy)-N-(3-methyl-2-oxo-1H-quinolin-6-yl)ethanesulfonamide
SMILESCOCCOCCS(=O)(=O)Nc1ccc2[nH]c(=O)c(C)cc2c1
InChIInChI=1S/C15H20N2O5S/c1-11-9-12-10-13(3-4-14(12)16-15(11)18)17-23(19,20)8-7-22-6-5-21-2/h3-4,9-10,17H,5-8H2,1-2H3,(H,16,18)
InChIKeyMHPPXGHEFZLJCZ-UHFFFAOYSA-N
XLogP1.24
TPSA97.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-N-(3-methyl-2-oxo-1H-quinolin-6-yl)ethanesulfonamide?
The IUPAC name of 2-(2-methoxyethoxy)-N-(3-methyl-2-oxo-1H-quinolin-6-yl)ethanesulfonamide (CID 127265969) is 2-(2-methoxyethoxy)-N-(3-methyl-2-oxo-1H-quinolin-6-yl)ethanesulfonamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-(3-methyl-2-oxo-1H-quinolin-6-yl)ethanesulfonamide?
The canonical SMILES for 2-(2-methoxyethoxy)-N-(3-methyl-2-oxo-1H-quinolin-6-yl)ethanesulfonamide is COCCOCCS(=O)(=O)Nc1ccc2[nH]c(=O)c(C)cc2c1.
What is the InChIKey of 2-(2-methoxyethoxy)-N-(3-methyl-2-oxo-1H-quinolin-6-yl)ethanesulfonamide?
The InChIKey is MHPPXGHEFZLJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S/c1-11-9-12-10-13(3-4-14(12)16-15(11)18)17-23(19,20)8-7-22-6-5-21-2/h3-4,9-10,17H,5-8H2,1-2H3,(H,16,18).
What are the key properties of 2-(2-methoxyethoxy)-N-(3-methyl-2-oxo-1H-quinolin-6-yl)ethanesulfonamide?
2-(2-methoxyethoxy)-N-(3-methyl-2-oxo-1H-quinolin-6-yl)ethanesulfonamide has a molecular weight of 340.40 g/mol, XLogP of 1.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-(3-methyl-2-oxo-1H-quinolin-6-yl)ethanesulfonamide is sourced from PubChem (CID 127265969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).