3-[benzyl(ethyl)amino]-1-thiophen-2-ylpropan-1-one

C16H19NOS — CID 46231812

IUPAC3-[benzyl(ethyl)amino]-1-thiophen-2-ylpropan-1-one
SMILESCCN(CCC(=O)c1cccs1)Cc1ccccc1
InChIInChI=1S/C16H19NOS/c1-2-17(13-14-7-4-3-5-8-14)11-10-15(18)16-9-6-12-19-16/h3-9,12H,2,10-11,13H2,1H3
InChIKeyLRMNBRIPTLFDEK-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.84
Rot. Bonds7

About 3-[benzyl(ethyl)amino]-1-thiophen-2-ylpropan-1-one

3-[benzyl(ethyl)amino]-1-thiophen-2-ylpropan-1-one (PubChem CID 46231812) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 3-[benzyl(ethyl)amino]-1-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name3-[benzyl(ethyl)amino]-1-thiophen-2-ylpropan-1-one
PubChem CID46231812
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name3-[benzyl(ethyl)amino]-1-thiophen-2-ylpropan-1-one
SMILESCCN(CCC(=O)c1cccs1)Cc1ccccc1
InChIInChI=1S/C16H19NOS/c1-2-17(13-14-7-4-3-5-8-14)11-10-15(18)16-9-6-12-19-16/h3-9,12H,2,10-11,13H2,1H3
InChIKeyLRMNBRIPTLFDEK-UHFFFAOYSA-N
XLogP3.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(ethyl)amino]-1-thiophen-2-ylpropan-1-one?
The IUPAC name of 3-[benzyl(ethyl)amino]-1-thiophen-2-ylpropan-1-one (CID 46231812) is 3-[benzyl(ethyl)amino]-1-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 3-[benzyl(ethyl)amino]-1-thiophen-2-ylpropan-1-one?
The canonical SMILES for 3-[benzyl(ethyl)amino]-1-thiophen-2-ylpropan-1-one is CCN(CCC(=O)c1cccs1)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(ethyl)amino]-1-thiophen-2-ylpropan-1-one?
The InChIKey is LRMNBRIPTLFDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-2-17(13-14-7-4-3-5-8-14)11-10-15(18)16-9-6-12-19-16/h3-9,12H,2,10-11,13H2,1H3.
What are the key properties of 3-[benzyl(ethyl)amino]-1-thiophen-2-ylpropan-1-one?
3-[benzyl(ethyl)amino]-1-thiophen-2-ylpropan-1-one has a molecular weight of 273.40 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(ethyl)amino]-1-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 46231812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).