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

C16H19NO2S — CID 46231871

IUPAC3-[benzyl(2-hydroxyethyl)amino]-1-thiophen-2-ylpropan-1-one
SMILESO=C(CCN(CCO)Cc1ccccc1)c1cccs1
InChIInChI=1S/C16H19NO2S/c18-11-10-17(13-14-5-2-1-3-6-14)9-8-15(19)16-7-4-12-20-16/h1-7,12,18H,8-11,13H2
InChIKeyQAXXJKQLJQDSSP-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.82
Rot. Bonds8

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

3-[benzyl(2-hydroxyethyl)amino]-1-thiophen-2-ylpropan-1-one (PubChem CID 46231871) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 3-[benzyl(2-hydroxyethyl)amino]-1-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name3-[benzyl(2-hydroxyethyl)amino]-1-thiophen-2-ylpropan-1-one
PubChem CID46231871
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name3-[benzyl(2-hydroxyethyl)amino]-1-thiophen-2-ylpropan-1-one
SMILESO=C(CCN(CCO)Cc1ccccc1)c1cccs1
InChIInChI=1S/C16H19NO2S/c18-11-10-17(13-14-5-2-1-3-6-14)9-8-15(19)16-7-4-12-20-16/h1-7,12,18H,8-11,13H2
InChIKeyQAXXJKQLJQDSSP-UHFFFAOYSA-N
XLogP2.82
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[benzyl(2-hydroxyethyl)amino]-1-thiophen-2-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(2-hydroxyethyl)amino]-1-thiophen-2-ylpropan-1-one?
The IUPAC name of 3-[benzyl(2-hydroxyethyl)amino]-1-thiophen-2-ylpropan-1-one (CID 46231871) is 3-[benzyl(2-hydroxyethyl)amino]-1-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 3-[benzyl(2-hydroxyethyl)amino]-1-thiophen-2-ylpropan-1-one?
The canonical SMILES for 3-[benzyl(2-hydroxyethyl)amino]-1-thiophen-2-ylpropan-1-one is O=C(CCN(CCO)Cc1ccccc1)c1cccs1.
What is the InChIKey of 3-[benzyl(2-hydroxyethyl)amino]-1-thiophen-2-ylpropan-1-one?
The InChIKey is QAXXJKQLJQDSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c18-11-10-17(13-14-5-2-1-3-6-14)9-8-15(19)16-7-4-12-20-16/h1-7,12,18H,8-11,13H2.
What are the key properties of 3-[benzyl(2-hydroxyethyl)amino]-1-thiophen-2-ylpropan-1-one?
3-[benzyl(2-hydroxyethyl)amino]-1-thiophen-2-ylpropan-1-one has a molecular weight of 289.40 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(2-hydroxyethyl)amino]-1-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 46231871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).