1-(5-bromothiophen-2-yl)-2-(N,3,5-trimethylanilino)ethanone

C15H16BrNOS — CID 63567722

IUPAC1-(5-bromothiophen-2-yl)-2-(N,3,5-trimethylanilino)ethanone
SMILESCc1cc(C)cc(N(C)CC(=O)c2ccc(Br)s2)c1
InChIInChI=1S/C15H16BrNOS/c1-10-6-11(2)8-12(7-10)17(3)9-13(18)14-4-5-15(16)19-14/h4-8H,9H2,1-3H3
InChIKeyKZLGXZUUSZITKI-UHFFFAOYSA-N
MW338.27 g/mol
LogP4.45
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)-2-(N,3,5-trimethylanilino)ethanone

1-(5-bromothiophen-2-yl)-2-(N,3,5-trimethylanilino)ethanone (PubChem CID 63567722) has the molecular formula C15H16BrNOS and a molecular weight of 338.27 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-(N,3,5-trimethylanilino)ethanone.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-(N,3,5-trimethylanilino)ethanone
PubChem CID63567722
Molecular FormulaC15H16BrNOS
Molecular Weight338.27 g/mol
Exact Mass337.01
IUPAC Name1-(5-bromothiophen-2-yl)-2-(N,3,5-trimethylanilino)ethanone
SMILESCc1cc(C)cc(N(C)CC(=O)c2ccc(Br)s2)c1
InChIInChI=1S/C15H16BrNOS/c1-10-6-11(2)8-12(7-10)17(3)9-13(18)14-4-5-15(16)19-14/h4-8H,9H2,1-3H3
InChIKeyKZLGXZUUSZITKI-UHFFFAOYSA-N
XLogP4.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromothiophen-2-yl)-2-(dimethylamino)ethanone
CID 43794754
1-(5-bromothiophen-2-yl)butane-1,3-dione
CID 42614631
1-(5-bromothiophen-2-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone
CID 63964423
1-(5-bromothiophen-2-yl)-2-[methyl(pentan-2-yl)amino]ethanone
CID 43796956
1-(5-bromothiophen-2-yl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone
CID 62036953
2-[bis(2-hydroxyethyl)amino]-1-(5-bromothiophen-2-yl)ethanone
CID 62051248
2-[(3-bromophenyl)methyl-methylamino]-1-(5-bromothiophen-2-yl)ethanone
CID 62036527
1-(5-bromothiophen-2-yl)-2-[3-methoxypropyl(methyl)amino]ethanone
CID 63008744
1-(5-bromothiophen-2-yl)-2-[cyclobutylmethyl(methyl)amino]ethanone
CID 62860457
5-[(N,3,5-trimethylanilino)methyl]thiophene-2-carboxylic acid
CID 63378033
(5-bromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanone
CID 43462600
1-(5-bromothiophen-2-yl)-2-[cyclohexylmethyl(methyl)amino]ethanone
CID 61446500

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-(N,3,5-trimethylanilino)ethanone?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-(N,3,5-trimethylanilino)ethanone (CID 63567722) is 1-(5-bromothiophen-2-yl)-2-(N,3,5-trimethylanilino)ethanone.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-(N,3,5-trimethylanilino)ethanone?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-(N,3,5-trimethylanilino)ethanone is Cc1cc(C)cc(N(C)CC(=O)c2ccc(Br)s2)c1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-(N,3,5-trimethylanilino)ethanone?
The InChIKey is KZLGXZUUSZITKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNOS/c1-10-6-11(2)8-12(7-10)17(3)9-13(18)14-4-5-15(16)19-14/h4-8H,9H2,1-3H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-(N,3,5-trimethylanilino)ethanone?
1-(5-bromothiophen-2-yl)-2-(N,3,5-trimethylanilino)ethanone has a molecular weight of 338.27 g/mol, XLogP of 4.45, 4 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-(N,3,5-trimethylanilino)ethanone is sourced from PubChem (CID 63567722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).