1-(2,4-dihydroxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone

C12H17NO5S — CID 79850569

IUPAC1-(2,4-dihydroxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone
SMILESCN(CCS(C)(=O)=O)CC(=O)c1ccc(O)cc1O
InChIInChI=1S/C12H17NO5S/c1-13(5-6-19(2,17)18)8-12(16)10-4-3-9(14)7-11(10)15/h3-4,7,14-15H,5-6,8H2,1-2H3
InChIKeyRZQAGSJYHYWWAR-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.26
Rot. Bonds6

About 1-(2,4-dihydroxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone

1-(2,4-dihydroxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone (PubChem CID 79850569) has the molecular formula C12H17NO5S and a molecular weight of 287.34 g/mol. Its IUPAC name is 1-(2,4-dihydroxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone.

Molecular Properties

Compound Name1-(2,4-dihydroxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone
PubChem CID79850569
Molecular FormulaC12H17NO5S
Molecular Weight287.34 g/mol
Exact Mass287.08
IUPAC Name1-(2,4-dihydroxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone
SMILESCN(CCS(C)(=O)=O)CC(=O)c1ccc(O)cc1O
InChIInChI=1S/C12H17NO5S/c1-13(5-6-19(2,17)18)8-12(16)10-4-3-9(14)7-11(10)15/h3-4,7,14-15H,5-6,8H2,1-2H3
InChIKeyRZQAGSJYHYWWAR-UHFFFAOYSA-N
XLogP0.26
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(2,4-dihydroxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[butyl(methyl)amino]-1-(2,4-dihydroxyphenyl)ethanone
CID 43219653
1-(2,4-dihydroxyphenyl)-2-[methyl(3-methylbutyl)amino]ethanone
CID 61429345
2-[(3-chlorophenyl)methyl-methylamino]-1-(2,4-dihydroxyphenyl)ethanone
CID 60650522
1-(3,4-dimethylphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone
CID 79850026
1-(4-fluorophenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone
CID 79850839
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,4-dihydroxyphenyl)ethanone
CID 62053041
2-amino-5-hydroxy-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 107075641
1-(2,4-dihydroxyphenyl)-2-hydroxyethanone
CID 11715230
1-(3-methoxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone
CID 79849561
1-(1-benzofuran-2-yl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone
CID 79850207
3-(diethylamino)-1-(2,4-dihydroxyphenyl)propan-1-one
CID 121004187
1-(2,4-dihydroxyphenyl)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethanone
CID 62036910

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dihydroxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone?
The IUPAC name of 1-(2,4-dihydroxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone (CID 79850569) is 1-(2,4-dihydroxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone.
What is the SMILES notation for 1-(2,4-dihydroxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone?
The canonical SMILES for 1-(2,4-dihydroxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone is CN(CCS(C)(=O)=O)CC(=O)c1ccc(O)cc1O.
What is the InChIKey of 1-(2,4-dihydroxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone?
The InChIKey is RZQAGSJYHYWWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S/c1-13(5-6-19(2,17)18)8-12(16)10-4-3-9(14)7-11(10)15/h3-4,7,14-15H,5-6,8H2,1-2H3.
What are the key properties of 1-(2,4-dihydroxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone?
1-(2,4-dihydroxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone has a molecular weight of 287.34 g/mol, XLogP of 0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dihydroxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone is sourced from PubChem (CID 79850569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).