1-(3-methoxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone

C13H19NO4S — CID 79849561

IUPAC1-(3-methoxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone
SMILESCOc1cccc(C(=O)CN(C)CCS(C)(=O)=O)c1
InChIInChI=1S/C13H19NO4S/c1-14(7-8-19(3,16)17)10-13(15)11-5-4-6-12(9-11)18-2/h4-6,9H,7-8,10H2,1-3H3
InChIKeyUBJWLYRWCWVTAH-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.85
Rot. Bonds7

About 1-(3-methoxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone

1-(3-methoxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone (PubChem CID 79849561) has the molecular formula C13H19NO4S and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone
PubChem CID79849561
Molecular FormulaC13H19NO4S
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC Name1-(3-methoxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone
SMILESCOc1cccc(C(=O)CN(C)CCS(C)(=O)=O)c1
InChIInChI=1S/C13H19NO4S/c1-14(7-8-19(3,16)17)10-13(15)11-5-4-6-12(9-11)18-2/h4-6,9H,7-8,10H2,1-3H3
InChIKeyUBJWLYRWCWVTAH-UHFFFAOYSA-N
XLogP0.85
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxyphenyl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone
CID 79486262
1-(3-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
CID 63207254
1-(3,4-dimethylphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone
CID 79850026
1-(3-methoxyphenyl)-2-[methyl(2-methylbutyl)amino]ethanone
CID 43796154
2-[[2-(3-methoxyphenyl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 60681718
1-(3-methoxyphenyl)-2-[propan-2-yl(propyl)amino]ethanone
CID 43795420
1-(4-fluorophenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone
CID 79850839
2-ethylsulfonyl-1-(3-methoxyphenyl)ethanone
CID 64643903
1-(3-methoxyphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 60650680
3-[[2-(3-methoxyphenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide
CID 106916558
2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
2-[ethyl(2-methoxyethyl)amino]-1-(3-methoxyphenyl)ethanone
CID 61446317

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone?
The IUPAC name of 1-(3-methoxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone (CID 79849561) is 1-(3-methoxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone?
The canonical SMILES for 1-(3-methoxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone is COc1cccc(C(=O)CN(C)CCS(C)(=O)=O)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone?
The InChIKey is UBJWLYRWCWVTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-14(7-8-19(3,16)17)10-13(15)11-5-4-6-12(9-11)18-2/h4-6,9H,7-8,10H2,1-3H3.
What are the key properties of 1-(3-methoxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone?
1-(3-methoxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone has a molecular weight of 285.37 g/mol, XLogP of 0.85, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone is sourced from PubChem (CID 79849561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).