1-(1-benzofuran-2-yl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone

C14H17NO4S — CID 79850207

IUPAC1-(1-benzofuran-2-yl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone
SMILESCN(CCS(C)(=O)=O)CC(=O)c1cc2ccccc2o1
InChIInChI=1S/C14H17NO4S/c1-15(7-8-20(2,17)18)10-12(16)14-9-11-5-3-4-6-13(11)19-14/h3-6,9H,7-8,10H2,1-2H3
InChIKeyFIRUGGHKLQNUIQ-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.59
Rot. Bonds6

About 1-(1-benzofuran-2-yl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone

1-(1-benzofuran-2-yl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone (PubChem CID 79850207) has the molecular formula C14H17NO4S and a molecular weight of 295.36 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone
PubChem CID79850207
Molecular FormulaC14H17NO4S
Molecular Weight295.36 g/mol
Exact Mass295.09
IUPAC Name1-(1-benzofuran-2-yl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone
SMILESCN(CCS(C)(=O)=O)CC(=O)c1cc2ccccc2o1
InChIInChI=1S/C14H17NO4S/c1-15(7-8-20(2,17)18)10-12(16)14-9-11-5-3-4-6-13(11)19-14/h3-6,9H,7-8,10H2,1-2H3
InChIKeyFIRUGGHKLQNUIQ-UHFFFAOYSA-N
XLogP1.59
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-benzofuran-2-yl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone
CID 62051653
1-(1-benzofuran-2-yl)-2-propan-2-ylsulfonylethanone
CID 64636555
3-amino-1-(1-benzofuran-2-yl)propan-1-one
CID 82275110
3-[[2-(1-benzofuran-2-yl)-2-oxoethyl]-methylamino]butanenitrile
CID 63223390
1-(1-benzofuran-2-yl)-3,3-dimethylbutan-1-one
CID 114725277
1-(1-benzofuran-2-yl)pentane-1,3-dione
CID 28896262
1-(1-benzofuran-2-yl)-2-(methylamino)ethanone;ethane
CID 171632781
1-(3,4-dimethylphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone
CID 79850026
1-(1-benzofuran-2-yl)ethanone
CID 15435
1-(1-benzofuran-2-yl)-3-(methylamino)propan-1-one
CID 114736388
1-(4-fluorophenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone
CID 79850839
1-(1-benzofuran-2-yl)-2-ethoxyethanone
CID 43799572

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone (CID 79850207) is 1-(1-benzofuran-2-yl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone is CN(CCS(C)(=O)=O)CC(=O)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone?
The InChIKey is FIRUGGHKLQNUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4S/c1-15(7-8-20(2,17)18)10-12(16)14-9-11-5-3-4-6-13(11)19-14/h3-6,9H,7-8,10H2,1-2H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone?
1-(1-benzofuran-2-yl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone has a molecular weight of 295.36 g/mol, XLogP of 1.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone is sourced from PubChem (CID 79850207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).