1-(3,4-dimethylphenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone

C18H23NOS — CID 79488675

IUPAC1-(3,4-dimethylphenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
SMILESCc1ccc(C(=O)CN(C)C(C)Cc2cccs2)cc1C
InChIInChI=1S/C18H23NOS/c1-13-7-8-16(10-14(13)2)18(20)12-19(4)15(3)11-17-6-5-9-21-17/h5-10,15H,11-12H2,1-4H3
InChIKeyZMSNGIDPFZWBOO-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.11
Rot. Bonds6

About 1-(3,4-dimethylphenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone

1-(3,4-dimethylphenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone (PubChem CID 79488675) has the molecular formula C18H23NOS and a molecular weight of 301.46 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
PubChem CID79488675
Molecular FormulaC18H23NOS
Molecular Weight301.46 g/mol
Exact Mass301.15
IUPAC Name1-(3,4-dimethylphenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
SMILESCc1ccc(C(=O)CN(C)C(C)Cc2cccs2)cc1C
InChIInChI=1S/C18H23NOS/c1-13-7-8-16(10-14(13)2)18(20)12-19(4)15(3)11-17-6-5-9-21-17/h5-10,15H,11-12H2,1-4H3
InChIKeyZMSNGIDPFZWBOO-UHFFFAOYSA-N
XLogP4.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
CID 79486106
1-(3-chlorophenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
CID 79486408
1-(2,4-dimethylphenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
CID 79488668
4-[2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]acetyl]benzonitrile
CID 79488497
1-(3,4-dimethylphenyl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone
CID 79485875
1-(5-methylthiophen-2-yl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
CID 79486407
1-(5-fluoro-2-hydroxyphenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
CID 79488678
1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79485730
N'-methyl-2-methylidene-N'-(1-thiophen-2-ylpropan-2-yl)propane-1,3-diamine
CID 103070954
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79470909
4-hydroxy-N,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 103865710
N-(2-methyl-4-oxopentan-3-yl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]acetamide
CID 79488662

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone (CID 79488675) is 1-(3,4-dimethylphenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone is Cc1ccc(C(=O)CN(C)C(C)Cc2cccs2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone?
The InChIKey is ZMSNGIDPFZWBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-13-7-8-16(10-14(13)2)18(20)12-19(4)15(3)11-17-6-5-9-21-17/h5-10,15H,11-12H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone?
1-(3,4-dimethylphenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone has a molecular weight of 301.46 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone is sourced from PubChem (CID 79488675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).