1-(1-benzofuran-3-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone

C15H17NO4S — CID 43797742

IUPAC1-(1-benzofuran-3-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone
SMILESCN(CC(=O)c1coc2ccccc12)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H17NO4S/c1-16(11-6-7-21(18,19)10-11)8-14(17)13-9-20-15-5-3-2-4-12(13)15/h2-5,9,11H,6-8,10H2,1H3
InChIKeyJHRRGUJMZLIRKK-UHFFFAOYSA-N
MW307.37 g/mol
LogP1.73
Rot. Bonds4

About 1-(1-benzofuran-3-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone

1-(1-benzofuran-3-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone (PubChem CID 43797742) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is 1-(1-benzofuran-3-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone.

Molecular Properties

Compound Name1-(1-benzofuran-3-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone
PubChem CID43797742
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC Name1-(1-benzofuran-3-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone
SMILESCN(CC(=O)c1coc2ccccc12)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H17NO4S/c1-16(11-6-7-21(18,19)10-11)8-14(17)13-9-20-15-5-3-2-4-12(13)15/h2-5,9,11H,6-8,10H2,1H3
InChIKeyJHRRGUJMZLIRKK-UHFFFAOYSA-N
XLogP1.73
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-benzofuran-3-yl)-2-[methyl(thiolan-3-yl)amino]ethanone
CID 62051384
2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-(furan-2-yl)ethanone
CID 43227354
2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-(3-methyl-1-benzofuran-5-yl)acetamide
CID 124848485
N-[(3R)-1,1-dioxothiolan-3-yl]-5-ethyl-N-methyl-1-benzofuran-3-carboxamide
CID 100653702
2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-(2-methoxy-4-methylphenyl)ethanone
CID 43797743
1-(3,4-dihydroxyphenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone
CID 43234725
2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-(4-propylphenyl)ethanone
CID 43227373
1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone
CID 110655106
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-pyridin-2-ylacetamide
CID 47164063
2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-(furan-3-ylmethyl)-N-methylacetamide
CID 125179712
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-1-benzofuran-3-carboxamide;hydrochloride
CID 86813060
2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 9114988

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone?
The IUPAC name of 1-(1-benzofuran-3-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone (CID 43797742) is 1-(1-benzofuran-3-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone.
What is the SMILES notation for 1-(1-benzofuran-3-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone?
The canonical SMILES for 1-(1-benzofuran-3-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone is CN(CC(=O)c1coc2ccccc12)C1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1-benzofuran-3-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone?
The InChIKey is JHRRGUJMZLIRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-16(11-6-7-21(18,19)10-11)8-14(17)13-9-20-15-5-3-2-4-12(13)15/h2-5,9,11H,6-8,10H2,1H3.
What are the key properties of 1-(1-benzofuran-3-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone?
1-(1-benzofuran-3-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone has a molecular weight of 307.37 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone is sourced from PubChem (CID 43797742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).