2-[cyclohexyl(ethyl)amino]-1-(2,5-dibromothiophen-3-yl)ethanone

C14H19Br2NOS — CID 43228182

IUPAC2-[cyclohexyl(ethyl)amino]-1-(2,5-dibromothiophen-3-yl)ethanone
SMILESCCN(CC(=O)c1cc(Br)sc1Br)C1CCCCC1
InChIInChI=1S/C14H19Br2NOS/c1-2-17(10-6-4-3-5-7-10)9-12(18)11-8-13(15)19-14(11)16/h8,10H,2-7,9H2,1H3
InChIKeyAERQEEJDGAMYHR-UHFFFAOYSA-N
MW409.19 g/mol
LogP5.11
Rot. Bonds5

About 2-[cyclohexyl(ethyl)amino]-1-(2,5-dibromothiophen-3-yl)ethanone

2-[cyclohexyl(ethyl)amino]-1-(2,5-dibromothiophen-3-yl)ethanone (PubChem CID 43228182) has the molecular formula C14H19Br2NOS and a molecular weight of 409.19 g/mol. Its IUPAC name is 2-[cyclohexyl(ethyl)amino]-1-(2,5-dibromothiophen-3-yl)ethanone.

Molecular Properties

Compound Name2-[cyclohexyl(ethyl)amino]-1-(2,5-dibromothiophen-3-yl)ethanone
PubChem CID43228182
Molecular FormulaC14H19Br2NOS
Molecular Weight409.19 g/mol
Exact Mass406.96
IUPAC Name2-[cyclohexyl(ethyl)amino]-1-(2,5-dibromothiophen-3-yl)ethanone
SMILESCCN(CC(=O)c1cc(Br)sc1Br)C1CCCCC1
InChIInChI=1S/C14H19Br2NOS/c1-2-17(10-6-4-3-5-7-10)9-12(18)11-8-13(15)19-14(11)16/h8,10H,2-7,9H2,1H3
InChIKeyAERQEEJDGAMYHR-UHFFFAOYSA-N
XLogP5.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.19
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(ethyl)amino]-1-(2,5-dibromothiophen-3-yl)ethanone?
The IUPAC name of 2-[cyclohexyl(ethyl)amino]-1-(2,5-dibromothiophen-3-yl)ethanone (CID 43228182) is 2-[cyclohexyl(ethyl)amino]-1-(2,5-dibromothiophen-3-yl)ethanone.
What is the SMILES notation for 2-[cyclohexyl(ethyl)amino]-1-(2,5-dibromothiophen-3-yl)ethanone?
The canonical SMILES for 2-[cyclohexyl(ethyl)amino]-1-(2,5-dibromothiophen-3-yl)ethanone is CCN(CC(=O)c1cc(Br)sc1Br)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(ethyl)amino]-1-(2,5-dibromothiophen-3-yl)ethanone?
The InChIKey is AERQEEJDGAMYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br2NOS/c1-2-17(10-6-4-3-5-7-10)9-12(18)11-8-13(15)19-14(11)16/h8,10H,2-7,9H2,1H3.
What are the key properties of 2-[cyclohexyl(ethyl)amino]-1-(2,5-dibromothiophen-3-yl)ethanone?
2-[cyclohexyl(ethyl)amino]-1-(2,5-dibromothiophen-3-yl)ethanone has a molecular weight of 409.19 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(ethyl)amino]-1-(2,5-dibromothiophen-3-yl)ethanone is sourced from PubChem (CID 43228182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).