2-[3-(benzenesulfonyl)-6-ethyl-2-oxoquinolin-1-yl]-N-(3-methoxypropyl)acetamide

C23H26N2O5S — CID 46394256

IUPAC2-[3-(benzenesulfonyl)-6-ethyl-2-oxoquinolin-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCCc1ccc2c(c1)cc(S(=O)(=O)c1ccccc1)c(=O)n2CC(=O)NCCCOC
InChIInChI=1S/C23H26N2O5S/c1-3-17-10-11-20-18(14-17)15-21(31(28,29)19-8-5-4-6-9-19)23(27)25(20)16-22(26)24-12-7-13-30-2/h4-6,8-11,14-15H,3,7,12-13,16H2,1-2H3,(H,24,26)
InChIKeyVACWAGWMLUYYLF-UHFFFAOYSA-N
MW442.54 g/mol
LogP2.55
Rot. Bonds9

About 2-[3-(benzenesulfonyl)-6-ethyl-2-oxoquinolin-1-yl]-N-(3-methoxypropyl)acetamide

2-[3-(benzenesulfonyl)-6-ethyl-2-oxoquinolin-1-yl]-N-(3-methoxypropyl)acetamide (PubChem CID 46394256) has the molecular formula C23H26N2O5S and a molecular weight of 442.54 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)-6-ethyl-2-oxoquinolin-1-yl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)-6-ethyl-2-oxoquinolin-1-yl]-N-(3-methoxypropyl)acetamide
PubChem CID46394256
Molecular FormulaC23H26N2O5S
Molecular Weight442.54 g/mol
Exact Mass442.16
IUPAC Name2-[3-(benzenesulfonyl)-6-ethyl-2-oxoquinolin-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCCc1ccc2c(c1)cc(S(=O)(=O)c1ccccc1)c(=O)n2CC(=O)NCCCOC
InChIInChI=1S/C23H26N2O5S/c1-3-17-10-11-20-18(14-17)15-21(31(28,29)19-8-5-4-6-9-19)23(27)25(20)16-22(26)24-12-7-13-30-2/h4-6,8-11,14-15H,3,7,12-13,16H2,1-2H3,(H,24,26)
InChIKeyVACWAGWMLUYYLF-UHFFFAOYSA-N
XLogP2.55
TPSA94.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(benzenesulfonyl)-6-methyl-2-oxoquinolin-1-yl]-N-[(2R)-butan-2-yl]acetamide
CID 92884774
2-[3-(benzenesulfonyl)-2-oxoquinolin-1-yl]-N-butan-2-ylacetamide
CID 46394229
2-[3-(benzenesulfonyl)-6-methyl-2-oxoquinolin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 92884777
2-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxypropyl)acetamide
CID 110688767
2-(4-ethyl-8-fluoro-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(3-methoxypropyl)acetamide
CID 20885008
N-(3-methoxypropyl)-2-[5-(methylaminomethyl)indol-1-yl]acetamide
CID 102915716
N-butyl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46357144
2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-N-(3-methoxypropyl)acetamide
CID 17032534
N-(3-methoxypropyl)-2-(2-oxo-1-pyridinyl)acetamide
CID 46418575
2-(3-ethylphenoxy)-N-(3-methoxypropyl)acetamide
CID 60623442
N-(3-methoxypropyl)-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide
CID 53207412
N-(3-methoxypropyl)-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 20953643

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)-6-ethyl-2-oxoquinolin-1-yl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[3-(benzenesulfonyl)-6-ethyl-2-oxoquinolin-1-yl]-N-(3-methoxypropyl)acetamide (CID 46394256) is 2-[3-(benzenesulfonyl)-6-ethyl-2-oxoquinolin-1-yl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[3-(benzenesulfonyl)-6-ethyl-2-oxoquinolin-1-yl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[3-(benzenesulfonyl)-6-ethyl-2-oxoquinolin-1-yl]-N-(3-methoxypropyl)acetamide is CCc1ccc2c(c1)cc(S(=O)(=O)c1ccccc1)c(=O)n2CC(=O)NCCCOC.
What is the InChIKey of 2-[3-(benzenesulfonyl)-6-ethyl-2-oxoquinolin-1-yl]-N-(3-methoxypropyl)acetamide?
The InChIKey is VACWAGWMLUYYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5S/c1-3-17-10-11-20-18(14-17)15-21(31(28,29)19-8-5-4-6-9-19)23(27)25(20)16-22(26)24-12-7-13-30-2/h4-6,8-11,14-15H,3,7,12-13,16H2,1-2H3,(H,24,26).
What are the key properties of 2-[3-(benzenesulfonyl)-6-ethyl-2-oxoquinolin-1-yl]-N-(3-methoxypropyl)acetamide?
2-[3-(benzenesulfonyl)-6-ethyl-2-oxoquinolin-1-yl]-N-(3-methoxypropyl)acetamide has a molecular weight of 442.54 g/mol, XLogP of 2.55, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonyl)-6-ethyl-2-oxoquinolin-1-yl]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 46394256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).