2-(6-methoxy-1H-indol-3-yl)-N-(2-methylsulfonylethyl)-2-oxoacetamide

C14H16N2O5S — CID 45274893

IUPAC2-(6-methoxy-1H-indol-3-yl)-N-(2-methylsulfonylethyl)-2-oxoacetamide
SMILESCOc1ccc2c(C(=O)C(=O)NCCS(C)(=O)=O)c[nH]c2c1
InChIInChI=1S/C14H16N2O5S/c1-21-9-3-4-10-11(8-16-12(10)7-9)13(17)14(18)15-5-6-22(2,19)20/h3-4,7-8,16H,5-6H2,1-2H3,(H,15,18)
InChIKeyKVLIGLDUJHPSFK-UHFFFAOYSA-N
MW324.36 g/mol
LogP0.52
Rot. Bonds6

About 2-(6-methoxy-1H-indol-3-yl)-N-(2-methylsulfonylethyl)-2-oxoacetamide

2-(6-methoxy-1H-indol-3-yl)-N-(2-methylsulfonylethyl)-2-oxoacetamide (PubChem CID 45274893) has the molecular formula C14H16N2O5S and a molecular weight of 324.36 g/mol. Its IUPAC name is 2-(6-methoxy-1H-indol-3-yl)-N-(2-methylsulfonylethyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(6-methoxy-1H-indol-3-yl)-N-(2-methylsulfonylethyl)-2-oxoacetamide
PubChem CID45274893
Molecular FormulaC14H16N2O5S
Molecular Weight324.36 g/mol
Exact Mass324.08
IUPAC Name2-(6-methoxy-1H-indol-3-yl)-N-(2-methylsulfonylethyl)-2-oxoacetamide
SMILESCOc1ccc2c(C(=O)C(=O)NCCS(C)(=O)=O)c[nH]c2c1
InChIInChI=1S/C14H16N2O5S/c1-21-9-3-4-10-11(8-16-12(10)7-9)13(17)14(18)15-5-6-22(2,19)20/h3-4,7-8,16H,5-6H2,1-2H3,(H,15,18)
InChIKeyKVLIGLDUJHPSFK-UHFFFAOYSA-N
XLogP0.52
TPSA105.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(5-methoxy-1H-indol-3-yl)-N-(3-methylbutyl)-2-oxoacetamide
CID 113208428
N-butyl-6-methoxy-1H-indole-3-carboxamide
CID 113206507
6-methoxy-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113206539
N-benzyl-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 113208378
6-methoxy-N-prop-2-enyl-1H-indole-3-carboxamide
CID 113206506
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-methylsulfonylpropanamide
CID 131951038
2,2,2-trifluoro-1-(6-methoxy-1H-indol-3-yl)ethanone
CID 22497238
N-[(4-chlorophenyl)methyl]-6-methoxy-1H-indole-3-carboxamide
CID 113206537
6-methoxy-N-[(2-methylphenyl)methyl]-1H-indole-3-carboxamide
CID 113206529
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-1H-indole-3-carboxamide
CID 113206560
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-(6-methoxy-1H-indol-3-yl)-2-oxoacetamide;hydrochloride
CID 70075185
N-(2-hydroxyethyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 43813799

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-1H-indol-3-yl)-N-(2-methylsulfonylethyl)-2-oxoacetamide?
The IUPAC name of 2-(6-methoxy-1H-indol-3-yl)-N-(2-methylsulfonylethyl)-2-oxoacetamide (CID 45274893) is 2-(6-methoxy-1H-indol-3-yl)-N-(2-methylsulfonylethyl)-2-oxoacetamide.
What is the SMILES notation for 2-(6-methoxy-1H-indol-3-yl)-N-(2-methylsulfonylethyl)-2-oxoacetamide?
The canonical SMILES for 2-(6-methoxy-1H-indol-3-yl)-N-(2-methylsulfonylethyl)-2-oxoacetamide is COc1ccc2c(C(=O)C(=O)NCCS(C)(=O)=O)c[nH]c2c1.
What is the InChIKey of 2-(6-methoxy-1H-indol-3-yl)-N-(2-methylsulfonylethyl)-2-oxoacetamide?
The InChIKey is KVLIGLDUJHPSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5S/c1-21-9-3-4-10-11(8-16-12(10)7-9)13(17)14(18)15-5-6-22(2,19)20/h3-4,7-8,16H,5-6H2,1-2H3,(H,15,18).
What are the key properties of 2-(6-methoxy-1H-indol-3-yl)-N-(2-methylsulfonylethyl)-2-oxoacetamide?
2-(6-methoxy-1H-indol-3-yl)-N-(2-methylsulfonylethyl)-2-oxoacetamide has a molecular weight of 324.36 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-1H-indol-3-yl)-N-(2-methylsulfonylethyl)-2-oxoacetamide is sourced from PubChem (CID 45274893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).