1-[5-[2-[(dimethylamino)methyl]-4-methoxyphenyl]thiophen-2-yl]ethanone

C16H19NO2S — CID 135337033

IUPAC1-[5-[2-[(dimethylamino)methyl]-4-methoxyphenyl]thiophen-2-yl]ethanone
SMILESCOc1ccc(-c2ccc(C(C)=O)s2)c(CN(C)C)c1
InChIInChI=1S/C16H19NO2S/c1-11(18)15-7-8-16(20-15)14-6-5-13(19-4)9-12(14)10-17(2)3/h5-9H,10H2,1-4H3
InChIKeyLQRYYKQRIFSOAT-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.69
Rot. Bonds5

About 1-[5-[2-[(dimethylamino)methyl]-4-methoxyphenyl]thiophen-2-yl]ethanone

1-[5-[2-[(dimethylamino)methyl]-4-methoxyphenyl]thiophen-2-yl]ethanone (PubChem CID 135337033) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-[5-[2-[(dimethylamino)methyl]-4-methoxyphenyl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[2-[(dimethylamino)methyl]-4-methoxyphenyl]thiophen-2-yl]ethanone
PubChem CID135337033
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name1-[5-[2-[(dimethylamino)methyl]-4-methoxyphenyl]thiophen-2-yl]ethanone
SMILESCOc1ccc(-c2ccc(C(C)=O)s2)c(CN(C)C)c1
InChIInChI=1S/C16H19NO2S/c1-11(18)15-7-8-16(20-15)14-6-5-13(19-4)9-12(14)10-17(2)3/h5-9H,10H2,1-4H3
InChIKeyLQRYYKQRIFSOAT-UHFFFAOYSA-N
XLogP3.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[(dimethylamino)methyl]-4-methoxyphenyl]thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-[2-[(dimethylamino)methyl]-4-methoxyphenyl]thiophen-2-yl]ethanone (CID 135337033) is 1-[5-[2-[(dimethylamino)methyl]-4-methoxyphenyl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-[2-[(dimethylamino)methyl]-4-methoxyphenyl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-[2-[(dimethylamino)methyl]-4-methoxyphenyl]thiophen-2-yl]ethanone is COc1ccc(-c2ccc(C(C)=O)s2)c(CN(C)C)c1.
What is the InChIKey of 1-[5-[2-[(dimethylamino)methyl]-4-methoxyphenyl]thiophen-2-yl]ethanone?
The InChIKey is LQRYYKQRIFSOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-11(18)15-7-8-16(20-15)14-6-5-13(19-4)9-12(14)10-17(2)3/h5-9H,10H2,1-4H3.
What are the key properties of 1-[5-[2-[(dimethylamino)methyl]-4-methoxyphenyl]thiophen-2-yl]ethanone?
1-[5-[2-[(dimethylamino)methyl]-4-methoxyphenyl]thiophen-2-yl]ethanone has a molecular weight of 289.40 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-[(dimethylamino)methyl]-4-methoxyphenyl]thiophen-2-yl]ethanone is sourced from PubChem (CID 135337033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).