N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide

C15H17NO2S — CID 54913397

IUPACN-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide
SMILESCC(c1ccccc1O)N(C)C(=O)Cc1cccs1
InChIInChI=1S/C15H17NO2S/c1-11(13-7-3-4-8-14(13)17)16(2)15(18)10-12-6-5-9-19-12/h3-9,11,17H,10H2,1-2H3
InChIKeyLEYKAEHJNXSUES-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.22
Rot. Bonds4

About N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide

N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide (PubChem CID 54913397) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide
PubChem CID54913397
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC NameN-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide
SMILESCC(c1ccccc1O)N(C)C(=O)Cc1cccs1
InChIInChI=1S/C15H17NO2S/c1-11(13-7-3-4-8-14(13)17)16(2)15(18)10-12-6-5-9-19-12/h3-9,11,17H,10H2,1-2H3
InChIKeyLEYKAEHJNXSUES-UHFFFAOYSA-N
XLogP3.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 61043693
2-(2-hydroxyphenyl)-N-methyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide
CID 96570370
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide
CID 134026968
N-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 39976465
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 42945980
N-methyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 95342586
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-thiophen-2-ylbutanamide
CID 134054458
N,N-bis(2-hydroxypropyl)-2-thiophen-2-ylacetamide
CID 112509111
N-[1-(2-hydroxyphenyl)ethyl]-N-methylpentanamide
CID 54916026
2-(2-aminophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide
CID 61109028
N-cyano-N-methyl-2-thiophen-2-ylacetamide
CID 131201372
4-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbutanamide
CID 81087863

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide?
The IUPAC name of N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide (CID 54913397) is N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide is CC(c1ccccc1O)N(C)C(=O)Cc1cccs1.
What is the InChIKey of N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide?
The InChIKey is LEYKAEHJNXSUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-11(13-7-3-4-8-14(13)17)16(2)15(18)10-12-6-5-9-19-12/h3-9,11,17H,10H2,1-2H3.
What are the key properties of N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide?
N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide has a molecular weight of 275.37 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide is sourced from PubChem (CID 54913397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).