2-[ethyl(thiophen-2-ylmethyl)amino]-1-(4-methoxyphenyl)ethanone

C16H19NO2S — CID 62035966

IUPAC2-[ethyl(thiophen-2-ylmethyl)amino]-1-(4-methoxyphenyl)ethanone
SMILESCCN(CC(=O)c1ccc(OC)cc1)Cc1cccs1
InChIInChI=1S/C16H19NO2S/c1-3-17(11-15-5-4-10-20-15)12-16(18)13-6-8-14(19-2)9-7-13/h4-10H,3,11-12H2,1-2H3
InChIKeyIRVPOVNXECALEN-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.46
Rot. Bonds7

About 2-[ethyl(thiophen-2-ylmethyl)amino]-1-(4-methoxyphenyl)ethanone

2-[ethyl(thiophen-2-ylmethyl)amino]-1-(4-methoxyphenyl)ethanone (PubChem CID 62035966) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-[ethyl(thiophen-2-ylmethyl)amino]-1-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[ethyl(thiophen-2-ylmethyl)amino]-1-(4-methoxyphenyl)ethanone
PubChem CID62035966
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name2-[ethyl(thiophen-2-ylmethyl)amino]-1-(4-methoxyphenyl)ethanone
SMILESCCN(CC(=O)c1ccc(OC)cc1)Cc1cccs1
InChIInChI=1S/C16H19NO2S/c1-3-17(11-15-5-4-10-20-15)12-16(18)13-6-8-14(19-2)9-7-13/h4-10H,3,11-12H2,1-2H3
InChIKeyIRVPOVNXECALEN-UHFFFAOYSA-N
XLogP3.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]benzonitrile
CID 62035390
1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-one
CID 63774976
2-[ethyl(thiophen-2-ylmethyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 62036551
N-ethyl-2-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 78825986
2-[ethyl(thiophen-2-ylmethyl)amino]-1-(1H-pyrrol-2-yl)ethanone
CID 60681704
1-cyclopropyl-2-[ethyl(thiophen-2-ylmethyl)amino]ethanone
CID 63914335
4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]benzamide
CID 17399698
2-[ethyl(thiophen-2-ylmethyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 41375506
1-(4-methylphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
CID 60650537
methyl 3-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylpropanoate
CID 79619619
2-[methyl(thiophen-2-ylmethyl)amino]-1-(4-propylphenyl)ethanone
CID 60650562
N-(5-chloro-2-methoxyphenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8718180

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(thiophen-2-ylmethyl)amino]-1-(4-methoxyphenyl)ethanone?
The IUPAC name of 2-[ethyl(thiophen-2-ylmethyl)amino]-1-(4-methoxyphenyl)ethanone (CID 62035966) is 2-[ethyl(thiophen-2-ylmethyl)amino]-1-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-[ethyl(thiophen-2-ylmethyl)amino]-1-(4-methoxyphenyl)ethanone?
The canonical SMILES for 2-[ethyl(thiophen-2-ylmethyl)amino]-1-(4-methoxyphenyl)ethanone is CCN(CC(=O)c1ccc(OC)cc1)Cc1cccs1.
What is the InChIKey of 2-[ethyl(thiophen-2-ylmethyl)amino]-1-(4-methoxyphenyl)ethanone?
The InChIKey is IRVPOVNXECALEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-3-17(11-15-5-4-10-20-15)12-16(18)13-6-8-14(19-2)9-7-13/h4-10H,3,11-12H2,1-2H3.
What are the key properties of 2-[ethyl(thiophen-2-ylmethyl)amino]-1-(4-methoxyphenyl)ethanone?
2-[ethyl(thiophen-2-ylmethyl)amino]-1-(4-methoxyphenyl)ethanone has a molecular weight of 289.40 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(thiophen-2-ylmethyl)amino]-1-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 62035966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).