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

C17H21NOS — CID 43228322

IUPAC1-(2,5-dimethylthiophen-3-yl)-2-(N-ethyl-2-methylanilino)ethanone
SMILESCCN(CC(=O)c1cc(C)sc1C)c1ccccc1C
InChIInChI=1S/C17H21NOS/c1-5-18(16-9-7-6-8-12(16)2)11-17(19)15-10-13(3)20-14(15)4/h6-10H,5,11H2,1-4H3
InChIKeyXQBWCPDWYTTYAS-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.38
Rot. Bonds5

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

1-(2,5-dimethylthiophen-3-yl)-2-(N-ethyl-2-methylanilino)ethanone (PubChem CID 43228322) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-2-(N-ethyl-2-methylanilino)ethanone.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-2-(N-ethyl-2-methylanilino)ethanone
PubChem CID43228322
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-2-(N-ethyl-2-methylanilino)ethanone
SMILESCCN(CC(=O)c1cc(C)sc1C)c1ccccc1C
InChIInChI=1S/C17H21NOS/c1-5-18(16-9-7-6-8-12(16)2)11-17(19)15-10-13(3)20-14(15)4/h6-10H,5,11H2,1-4H3
InChIKeyXQBWCPDWYTTYAS-UHFFFAOYSA-N
XLogP4.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dibromothiophen-3-yl)-2-(N-ethyl-2-methylanilino)ethanone
CID 43228317
1-(2,4-difluorophenyl)-2-(N-ethyl-2-methylanilino)ethanone
CID 43228309
2-(N-ethyl-2-methylanilino)-1-(4-iodophenyl)ethanone
CID 43228314
2-[benzyl(methyl)amino]-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 62052898
1-(3-bromothiophen-2-yl)-2-(N-ethyl-2-methylanilino)ethanone
CID 43794167
2-(N-ethyl-2-methylanilino)-1-(1-methylpyrrol-2-yl)ethanone
CID 43228316
4-[2-(N-ethyl-2-methylanilino)acetyl]benzonitrile
CID 43228325
1-(2,5-dichlorothiophen-3-yl)-2-(N-ethyl-2-fluoroanilino)ethanone
CID 63566126
N-ethyl-2-(N-ethyl-2-methylanilino)-N-(2-methylprop-2-enyl)acetamide
CID 78820883
1-(2,5-dimethylthiophen-3-yl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethanone
CID 79390558
4-(N-ethyl-2-methylanilino)butan-2-one
CID 28948801
2-(N-ethyl-3-methylanilino)-1-(2-methylphenyl)ethanone
CID 61102989

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-(N-ethyl-2-methylanilino)ethanone?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-(N-ethyl-2-methylanilino)ethanone (CID 43228322) is 1-(2,5-dimethylthiophen-3-yl)-2-(N-ethyl-2-methylanilino)ethanone.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-2-(N-ethyl-2-methylanilino)ethanone?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-2-(N-ethyl-2-methylanilino)ethanone is CCN(CC(=O)c1cc(C)sc1C)c1ccccc1C.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-2-(N-ethyl-2-methylanilino)ethanone?
The InChIKey is XQBWCPDWYTTYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-5-18(16-9-7-6-8-12(16)2)11-17(19)15-10-13(3)20-14(15)4/h6-10H,5,11H2,1-4H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-2-(N-ethyl-2-methylanilino)ethanone?
1-(2,5-dimethylthiophen-3-yl)-2-(N-ethyl-2-methylanilino)ethanone has a molecular weight of 287.43 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)-2-(N-ethyl-2-methylanilino)ethanone is sourced from PubChem (CID 43228322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).