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

C16H19NO2S — CID 79486262

IUPAC1-(3-methoxyphenyl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone
SMILESCOc1cccc(C(=O)CN(C)CCc2cccs2)c1
InChIInChI=1S/C16H19NO2S/c1-17(9-8-15-7-4-10-20-15)12-16(18)13-5-3-6-14(11-13)19-2/h3-7,10-11H,8-9,12H2,1-2H3
InChIKeyBSNXMPLGRAZMHR-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.11
Rot. Bonds7

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

1-(3-methoxyphenyl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone (PubChem CID 79486262) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone
PubChem CID79486262
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name1-(3-methoxyphenyl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone
SMILESCOc1cccc(C(=O)CN(C)CCc2cccs2)c1
InChIInChI=1S/C16H19NO2S/c1-17(9-8-15-7-4-10-20-15)12-16(18)13-5-3-6-14(11-13)19-2/h3-7,10-11H,8-9,12H2,1-2H3
InChIKeyBSNXMPLGRAZMHR-UHFFFAOYSA-N
XLogP3.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethylphenyl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone
CID 79485875
1-(3-methoxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone
CID 79849561
N-(furan-2-ylmethyl)-3-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 90495633
[4-methoxy-2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]phenyl]boronic acid
CID 79489171
1-(3-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
CID 63207254
1-(3-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
CID 62053358
1-(2,4-dimethylphenyl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone
CID 79486033
1-(3-methoxyphenyl)-2-[methyl(2-methylbutyl)amino]ethanone
CID 43796154
1-[3-(difluoromethoxy)phenyl]-3-thiophen-2-ylpropan-1-one
CID 114973227
1-(3-methoxyphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 60650680
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 3-methoxybenzoate
CID 8866793
1-(5-ethylthiophen-2-yl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone
CID 79485722

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone?
The IUPAC name of 1-(3-methoxyphenyl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone (CID 79486262) is 1-(3-methoxyphenyl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone?
The canonical SMILES for 1-(3-methoxyphenyl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone is COc1cccc(C(=O)CN(C)CCc2cccs2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone?
The InChIKey is BSNXMPLGRAZMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-17(9-8-15-7-4-10-20-15)12-16(18)13-5-3-6-14(11-13)19-2/h3-7,10-11H,8-9,12H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone?
1-(3-methoxyphenyl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone has a molecular weight of 289.40 g/mol, XLogP of 3.11, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone is sourced from PubChem (CID 79486262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).