1-(3-bromothiophen-2-yl)-2-[butyl(ethyl)amino]ethanone

C12H18BrNOS — CID 43794186

IUPAC1-(3-bromothiophen-2-yl)-2-[butyl(ethyl)amino]ethanone
SMILESCCCCN(CC)CC(=O)c1sccc1Br
InChIInChI=1S/C12H18BrNOS/c1-3-5-7-14(4-2)9-11(15)12-10(13)6-8-16-12/h6,8H,3-5,7,9H2,1-2H3
InChIKeyDBLFBCJBNVLGMA-UHFFFAOYSA-N
MW304.25 g/mol
LogP3.82
Rot. Bonds7

About 1-(3-bromothiophen-2-yl)-2-[butyl(ethyl)amino]ethanone

1-(3-bromothiophen-2-yl)-2-[butyl(ethyl)amino]ethanone (PubChem CID 43794186) has the molecular formula C12H18BrNOS and a molecular weight of 304.25 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-2-[butyl(ethyl)amino]ethanone.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-2-[butyl(ethyl)amino]ethanone
PubChem CID43794186
Molecular FormulaC12H18BrNOS
Molecular Weight304.25 g/mol
Exact Mass303.03
IUPAC Name1-(3-bromothiophen-2-yl)-2-[butyl(ethyl)amino]ethanone
SMILESCCCCN(CC)CC(=O)c1sccc1Br
InChIInChI=1S/C12H18BrNOS/c1-3-5-7-14(4-2)9-11(15)12-10(13)6-8-16-12/h6,8H,3-5,7,9H2,1-2H3
InChIKeyDBLFBCJBNVLGMA-UHFFFAOYSA-N
XLogP3.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-2-[butyl(ethyl)amino]ethanone?
The IUPAC name of 1-(3-bromothiophen-2-yl)-2-[butyl(ethyl)amino]ethanone (CID 43794186) is 1-(3-bromothiophen-2-yl)-2-[butyl(ethyl)amino]ethanone.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-2-[butyl(ethyl)amino]ethanone?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-2-[butyl(ethyl)amino]ethanone is CCCCN(CC)CC(=O)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-2-[butyl(ethyl)amino]ethanone?
The InChIKey is DBLFBCJBNVLGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNOS/c1-3-5-7-14(4-2)9-11(15)12-10(13)6-8-16-12/h6,8H,3-5,7,9H2,1-2H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-2-[butyl(ethyl)amino]ethanone?
1-(3-bromothiophen-2-yl)-2-[butyl(ethyl)amino]ethanone has a molecular weight of 304.25 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-2-[butyl(ethyl)amino]ethanone is sourced from PubChem (CID 43794186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).