2-[benzyl(methyl)amino]-1-(2,5-dimethylthiophen-3-yl)ethanone

C16H19NOS — CID 62052898

IUPAC2-[benzyl(methyl)amino]-1-(2,5-dimethylthiophen-3-yl)ethanone
SMILESCc1cc(C(=O)CN(C)Cc2ccccc2)c(C)s1
InChIInChI=1S/C16H19NOS/c1-12-9-15(13(2)19-12)16(18)11-17(3)10-14-7-5-4-6-8-14/h4-9H,10-11H2,1-3H3
InChIKeyKMSBUXODGYARSO-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.68
Rot. Bonds5

About 2-[benzyl(methyl)amino]-1-(2,5-dimethylthiophen-3-yl)ethanone

2-[benzyl(methyl)amino]-1-(2,5-dimethylthiophen-3-yl)ethanone (PubChem CID 62052898) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-1-(2,5-dimethylthiophen-3-yl)ethanone.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-1-(2,5-dimethylthiophen-3-yl)ethanone
PubChem CID62052898
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name2-[benzyl(methyl)amino]-1-(2,5-dimethylthiophen-3-yl)ethanone
SMILESCc1cc(C(=O)CN(C)Cc2ccccc2)c(C)s1
InChIInChI=1S/C16H19NOS/c1-12-9-15(13(2)19-12)16(18)11-17(3)10-14-7-5-4-6-8-14/h4-9H,10-11H2,1-3H3
InChIKeyKMSBUXODGYARSO-UHFFFAOYSA-N
XLogP3.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylthiophen-3-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 62050646
2-[(4-bromophenyl)methyl-methylamino]-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 62030555
3-[[[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-methylamino]methyl]benzonitrile
CID 62983079
1-(2,5-dimethylthiophen-3-yl)-3-phenylpropan-1-one
CID 43161377
1-(2,5-dimethylthiophen-3-yl)-2-[methyl(2-methylpropyl)amino]ethanone
CID 43795704
2-[[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 60681026
1-(2,5-dimethylthiophen-3-yl)-2-(N-ethyl-2-methylanilino)ethanone
CID 43228322
2-[benzyl(methyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 62051933
2-[benzyl(methyl)amino]acetyl chloride
CID 39254606
2-[benzyl(methyl)amino]-1-thiophen-3-ylethanone
CID 10658035
2-[benzyl(methyl)amino]-1-(4-fluoro-3-methylphenyl)ethanone
CID 71497148
1-(2,5-dimethylthiophen-3-yl)-2-[methyl(3-methylbutan-2-yl)amino]ethanone
CID 43796779

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-1-(2,5-dimethylthiophen-3-yl)ethanone?
The IUPAC name of 2-[benzyl(methyl)amino]-1-(2,5-dimethylthiophen-3-yl)ethanone (CID 62052898) is 2-[benzyl(methyl)amino]-1-(2,5-dimethylthiophen-3-yl)ethanone.
What is the SMILES notation for 2-[benzyl(methyl)amino]-1-(2,5-dimethylthiophen-3-yl)ethanone?
The canonical SMILES for 2-[benzyl(methyl)amino]-1-(2,5-dimethylthiophen-3-yl)ethanone is Cc1cc(C(=O)CN(C)Cc2ccccc2)c(C)s1.
What is the InChIKey of 2-[benzyl(methyl)amino]-1-(2,5-dimethylthiophen-3-yl)ethanone?
The InChIKey is KMSBUXODGYARSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-12-9-15(13(2)19-12)16(18)11-17(3)10-14-7-5-4-6-8-14/h4-9H,10-11H2,1-3H3.
What are the key properties of 2-[benzyl(methyl)amino]-1-(2,5-dimethylthiophen-3-yl)ethanone?
2-[benzyl(methyl)amino]-1-(2,5-dimethylthiophen-3-yl)ethanone has a molecular weight of 273.40 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-1-(2,5-dimethylthiophen-3-yl)ethanone is sourced from PubChem (CID 62052898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).