1-(5-bromothiophen-2-yl)-2-[methyl(pentan-2-yl)amino]ethanone

C12H18BrNOS — CID 43796956

IUPAC1-(5-bromothiophen-2-yl)-2-[methyl(pentan-2-yl)amino]ethanone
SMILESCCCC(C)N(C)CC(=O)c1ccc(Br)s1
InChIInChI=1S/C12H18BrNOS/c1-4-5-9(2)14(3)8-10(15)11-6-7-12(13)16-11/h6-7,9H,4-5,8H2,1-3H3
InChIKeyJLGVTWQDDLSFKR-UHFFFAOYSA-N
MW304.25 g/mol
LogP3.81
Rot. Bonds6

About 1-(5-bromothiophen-2-yl)-2-[methyl(pentan-2-yl)amino]ethanone

1-(5-bromothiophen-2-yl)-2-[methyl(pentan-2-yl)amino]ethanone (PubChem CID 43796956) has the molecular formula C12H18BrNOS and a molecular weight of 304.25 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-[methyl(pentan-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-[methyl(pentan-2-yl)amino]ethanone
PubChem CID43796956
Molecular FormulaC12H18BrNOS
Molecular Weight304.25 g/mol
Exact Mass303.03
IUPAC Name1-(5-bromothiophen-2-yl)-2-[methyl(pentan-2-yl)amino]ethanone
SMILESCCCC(C)N(C)CC(=O)c1ccc(Br)s1
InChIInChI=1S/C12H18BrNOS/c1-4-5-9(2)14(3)8-10(15)11-6-7-12(13)16-11/h6-7,9H,4-5,8H2,1-3H3
InChIKeyJLGVTWQDDLSFKR-UHFFFAOYSA-N
XLogP3.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5-bromothiophen-2-yl)-2-[methyl(pentan-2-yl)amino]ethanone with MolForge

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Related Compounds

1-(5-bromothiophen-2-yl)-2-(dimethylamino)ethanone
CID 43794754
1-(5-bromothiophen-2-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone
CID 63964423
2-[methyl(4-methylpentan-2-yl)amino]-1-(5-methylthiophen-2-yl)ethanone
CID 54999646
ethyl (2S)-4-(5-bromothiophen-2-yl)-2-methyl-4-oxobutanoate
CID 125473072
1-(5-bromothiophen-2-yl)-2-[2-methoxyethyl(propan-2-yl)amino]ethanone
CID 82950806
1-(5-methylthiophen-2-yl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
CID 79486407
1-(5-bromothiophen-2-yl)-2-(N,3,5-trimethylanilino)ethanone
CID 63567722
1-(5-ethylthiophen-2-yl)-2-[methyl(4-methylpentan-2-yl)amino]ethanone
CID 54999645
2-[bis(2-hydroxyethyl)amino]-1-(5-bromothiophen-2-yl)ethanone
CID 62051248
1-(5-bromothiophen-2-yl)octan-1-one
CID 63492200
2-[methyl(pentan-2-yl)amino]-1-(1H-pyrrol-2-yl)ethanone
CID 43433568
2-[1-methoxypropan-2-yl(methyl)amino]-1-(5-methylthiophen-2-yl)ethanone
CID 61451983

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-[methyl(pentan-2-yl)amino]ethanone?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-[methyl(pentan-2-yl)amino]ethanone (CID 43796956) is 1-(5-bromothiophen-2-yl)-2-[methyl(pentan-2-yl)amino]ethanone.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-[methyl(pentan-2-yl)amino]ethanone?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-[methyl(pentan-2-yl)amino]ethanone is CCCC(C)N(C)CC(=O)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-[methyl(pentan-2-yl)amino]ethanone?
The InChIKey is JLGVTWQDDLSFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNOS/c1-4-5-9(2)14(3)8-10(15)11-6-7-12(13)16-11/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-[methyl(pentan-2-yl)amino]ethanone?
1-(5-bromothiophen-2-yl)-2-[methyl(pentan-2-yl)amino]ethanone has a molecular weight of 304.25 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-2-[methyl(pentan-2-yl)amino]ethanone is sourced from PubChem (CID 43796956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).