1-(2,5-dibromothiophen-3-yl)-2-(N-methylanilino)ethanone

C13H11Br2NOS — CID 43227438

IUPAC1-(2,5-dibromothiophen-3-yl)-2-(N-methylanilino)ethanone
SMILESCN(CC(=O)c1cc(Br)sc1Br)c1ccccc1
InChIInChI=1S/C13H11Br2NOS/c1-16(9-5-3-2-4-6-9)8-11(17)10-7-12(14)18-13(10)15/h2-7H,8H2,1H3
InChIKeyKNJCDKRDGQULDH-UHFFFAOYSA-N
MW389.11 g/mol
LogP4.59
Rot. Bonds4

About 1-(2,5-dibromothiophen-3-yl)-2-(N-methylanilino)ethanone

1-(2,5-dibromothiophen-3-yl)-2-(N-methylanilino)ethanone (PubChem CID 43227438) has the molecular formula C13H11Br2NOS and a molecular weight of 389.11 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-2-(N-methylanilino)ethanone.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-2-(N-methylanilino)ethanone
PubChem CID43227438
Molecular FormulaC13H11Br2NOS
Molecular Weight389.11 g/mol
Exact Mass386.89
IUPAC Name1-(2,5-dibromothiophen-3-yl)-2-(N-methylanilino)ethanone
SMILESCN(CC(=O)c1cc(Br)sc1Br)c1ccccc1
InChIInChI=1S/C13H11Br2NOS/c1-16(9-5-3-2-4-6-9)8-11(17)10-7-12(14)18-13(10)15/h2-7H,8H2,1H3
InChIKeyKNJCDKRDGQULDH-UHFFFAOYSA-N
XLogP4.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.11
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl(2-hydroxyethyl)amino]-1-(2,5-dibromothiophen-3-yl)ethanone
CID 62116350
1-(2,5-dibromothiophen-3-yl)-2-(N-ethyl-2-methylanilino)ethanone
CID 43228317
1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)ethanone
CID 43344934
1-(2,5-dibromothiophen-3-yl)-2-[methyl(3-methylbutyl)amino]ethanone
CID 61428681
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(N-methylanilino)ethanone
CID 43794443
1-(2,5-difluorophenyl)-2-(N-methylanilino)ethanone
CID 43227426
1-(2,5-dibromothiophen-3-yl)-2-[ethyl(propyl)amino]ethanone
CID 43795311
2,5-dibromo-N-(3-hydroxyphenyl)-N-methylthiophene-3-carboxamide
CID 114021335
1-(2,5-dibromothiophen-3-yl)-2-[ethyl(2-methylpropyl)amino]ethanone
CID 43795861
1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)sulfinylethanone
CID 64640545
1-(2,5-dibromothiophen-3-yl)-2-[ethyl(furan-2-ylmethyl)amino]ethanone
CID 62037184
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(N-methylanilino)ethanone
CID 43226577

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-(N-methylanilino)ethanone?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-(N-methylanilino)ethanone (CID 43227438) is 1-(2,5-dibromothiophen-3-yl)-2-(N-methylanilino)ethanone.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-2-(N-methylanilino)ethanone?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-2-(N-methylanilino)ethanone is CN(CC(=O)c1cc(Br)sc1Br)c1ccccc1.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-2-(N-methylanilino)ethanone?
The InChIKey is KNJCDKRDGQULDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2NOS/c1-16(9-5-3-2-4-6-9)8-11(17)10-7-12(14)18-13(10)15/h2-7H,8H2,1H3.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-2-(N-methylanilino)ethanone?
1-(2,5-dibromothiophen-3-yl)-2-(N-methylanilino)ethanone has a molecular weight of 389.11 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophen-3-yl)-2-(N-methylanilino)ethanone is sourced from PubChem (CID 43227438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).