1-(3-bromothiophen-2-yl)-2-(N-ethyl-2-methylanilino)ethanone

C15H16BrNOS — CID 43794167

IUPAC1-(3-bromothiophen-2-yl)-2-(N-ethyl-2-methylanilino)ethanone
SMILESCCN(CC(=O)c1sccc1Br)c1ccccc1C
InChIInChI=1S/C15H16BrNOS/c1-3-17(13-7-5-4-6-11(13)2)10-14(18)15-12(16)8-9-19-15/h4-9H,3,10H2,1-2H3
InChIKeyPPPJETIQQYVNRX-UHFFFAOYSA-N
MW338.27 g/mol
LogP4.53
Rot. Bonds5

About 1-(3-bromothiophen-2-yl)-2-(N-ethyl-2-methylanilino)ethanone

1-(3-bromothiophen-2-yl)-2-(N-ethyl-2-methylanilino)ethanone (PubChem CID 43794167) has the molecular formula C15H16BrNOS and a molecular weight of 338.27 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-2-(N-ethyl-2-methylanilino)ethanone.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-2-(N-ethyl-2-methylanilino)ethanone
PubChem CID43794167
Molecular FormulaC15H16BrNOS
Molecular Weight338.27 g/mol
Exact Mass337.01
IUPAC Name1-(3-bromothiophen-2-yl)-2-(N-ethyl-2-methylanilino)ethanone
SMILESCCN(CC(=O)c1sccc1Br)c1ccccc1C
InChIInChI=1S/C15H16BrNOS/c1-3-17(13-7-5-4-6-11(13)2)10-14(18)15-12(16)8-9-19-15/h4-9H,3,10H2,1-2H3
InChIKeyPPPJETIQQYVNRX-UHFFFAOYSA-N
XLogP4.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 54.53
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-(N-ethyl-2-methylanilino)ethanone?
The IUPAC name of 1-(3-bromothiophen-2-yl)-2-(N-ethyl-2-methylanilino)ethanone (CID 43794167) is 1-(3-bromothiophen-2-yl)-2-(N-ethyl-2-methylanilino)ethanone.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-2-(N-ethyl-2-methylanilino)ethanone?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-2-(N-ethyl-2-methylanilino)ethanone is CCN(CC(=O)c1sccc1Br)c1ccccc1C.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-2-(N-ethyl-2-methylanilino)ethanone?
The InChIKey is PPPJETIQQYVNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNOS/c1-3-17(13-7-5-4-6-11(13)2)10-14(18)15-12(16)8-9-19-15/h4-9H,3,10H2,1-2H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-2-(N-ethyl-2-methylanilino)ethanone?
1-(3-bromothiophen-2-yl)-2-(N-ethyl-2-methylanilino)ethanone has a molecular weight of 338.27 g/mol, XLogP of 4.53, 5 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-(N-ethyl-2-methylanilino)ethanone is sourced from PubChem (CID 43794167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).