1-(2,5-dimethylthiophen-3-yl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethanone

C14H23NO2S — CID 79390558

IUPAC1-(2,5-dimethylthiophen-3-yl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethanone
SMILESCCN(CC(=O)c1cc(C)sc1C)CC(C)(C)O
InChIInChI=1S/C14H23NO2S/c1-6-15(9-14(4,5)17)8-13(16)12-7-10(2)18-11(12)3/h7,17H,6,8-9H2,1-5H3
InChIKeyQFEZILNWGHHDHT-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.64
Rot. Bonds6

About 1-(2,5-dimethylthiophen-3-yl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethanone

1-(2,5-dimethylthiophen-3-yl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethanone (PubChem CID 79390558) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethanone.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethanone
PubChem CID79390558
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethanone
SMILESCCN(CC(=O)c1cc(C)sc1C)CC(C)(C)O
InChIInChI=1S/C14H23NO2S/c1-6-15(9-14(4,5)17)8-13(16)12-7-10(2)18-11(12)3/h7,17H,6,8-9H2,1-5H3
InChIKeyQFEZILNWGHHDHT-UHFFFAOYSA-N
XLogP2.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromophenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethanone
CID 79390464
1-(2,5-dimethylthiophen-3-yl)-2-(N-ethyl-2-methylanilino)ethanone
CID 43228322
1-(2,5-dimethylthiophen-3-yl)-2-[methyl(2-methylpropyl)amino]ethanone
CID 43795704
1-(2,5-dimethylthiophen-3-yl)-2-[methyl(3-methylbutan-2-yl)amino]ethanone
CID 43796779
2-[[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 60681026
1-(2,5-dimethylthiophen-3-yl)-2-[2-methylpropyl(propan-2-yl)amino]ethanone
CID 54999652
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-methylacetamide
CID 79390515
2-[benzyl(methyl)amino]-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 62052898
3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-(2-methylphenyl)propan-1-one
CID 79379927
N-(2,4-dimethylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 78963407
N-(2,6-dimethylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 78963573
N-ethyl-N-(2-hydroxy-2-methylpropyl)-4,5-dimethylthiophene-2-carboxamide
CID 79386844

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethanone?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethanone (CID 79390558) is 1-(2,5-dimethylthiophen-3-yl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethanone.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethanone?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethanone is CCN(CC(=O)c1cc(C)sc1C)CC(C)(C)O.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethanone?
The InChIKey is QFEZILNWGHHDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-6-15(9-14(4,5)17)8-13(16)12-7-10(2)18-11(12)3/h7,17H,6,8-9H2,1-5H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethanone?
1-(2,5-dimethylthiophen-3-yl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethanone has a molecular weight of 269.41 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethanone is sourced from PubChem (CID 79390558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).