1-(4-bromophenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone

C16H18BrNOS — CID 79486106

IUPAC1-(4-bromophenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
SMILESCC(Cc1cccs1)N(C)CC(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H18BrNOS/c1-12(10-15-4-3-9-20-15)18(2)11-16(19)13-5-7-14(17)8-6-13/h3-9,12H,10-11H2,1-2H3
InChIKeyFIXFTUPFQFHFPA-UHFFFAOYSA-N
MW352.30 g/mol
LogP4.26
Rot. Bonds6

About 1-(4-bromophenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone

1-(4-bromophenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone (PubChem CID 79486106) has the molecular formula C16H18BrNOS and a molecular weight of 352.30 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
PubChem CID79486106
Molecular FormulaC16H18BrNOS
Molecular Weight352.30 g/mol
Exact Mass351.03
IUPAC Name1-(4-bromophenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
SMILESCC(Cc1cccs1)N(C)CC(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H18BrNOS/c1-12(10-15-4-3-9-20-15)18(2)11-16(19)13-5-7-14(17)8-6-13/h3-9,12H,10-11H2,1-2H3
InChIKeyFIXFTUPFQFHFPA-UHFFFAOYSA-N
XLogP4.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.30
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]acetyl]benzonitrile
CID 79488497
1-(3,4-dimethylphenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
CID 79488675
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
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-(2-methyl-4-oxopentan-3-yl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]acetamide
CID 79488662
4-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)butan-1-amine
CID 79486724
1-(4-ethylphenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]ethanone
CID 62052839
4-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]benzoic acid
CID 79488943

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone?
The IUPAC name of 1-(4-bromophenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone (CID 79486106) is 1-(4-bromophenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone is CC(Cc1cccs1)N(C)CC(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone?
The InChIKey is FIXFTUPFQFHFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNOS/c1-12(10-15-4-3-9-20-15)18(2)11-16(19)13-5-7-14(17)8-6-13/h3-9,12H,10-11H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone?
1-(4-bromophenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone has a molecular weight of 352.30 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone is sourced from PubChem (CID 79486106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).