N-[(4-methoxy-3-methylphenyl)methyl]-2-thiophen-2-ylacetamide

C15H17NO2S — CID 110779769

IUPACN-[(4-methoxy-3-methylphenyl)methyl]-2-thiophen-2-ylacetamide
SMILESCOc1ccc(CNC(=O)Cc2cccs2)cc1C
InChIInChI=1S/C15H17NO2S/c1-11-8-12(5-6-14(11)18-2)10-16-15(17)9-13-4-3-7-19-13/h3-8H,9-10H2,1-2H3,(H,16,17)
InChIKeyURBZDWMKZXTQHM-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.92
Rot. Bonds5

About N-[(4-methoxy-3-methylphenyl)methyl]-2-thiophen-2-ylacetamide

N-[(4-methoxy-3-methylphenyl)methyl]-2-thiophen-2-ylacetamide (PubChem CID 110779769) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[(4-methoxy-3-methylphenyl)methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(4-methoxy-3-methylphenyl)methyl]-2-thiophen-2-ylacetamide
PubChem CID110779769
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC NameN-[(4-methoxy-3-methylphenyl)methyl]-2-thiophen-2-ylacetamide
SMILESCOc1ccc(CNC(=O)Cc2cccs2)cc1C
InChIInChI=1S/C15H17NO2S/c1-11-8-12(5-6-14(11)18-2)10-16-15(17)9-13-4-3-7-19-13/h3-8H,9-10H2,1-2H3,(H,16,17)
InChIKeyURBZDWMKZXTQHM-UHFFFAOYSA-N
XLogP2.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methyl-4-methylsulfonylphenyl)methyl]-2-thiophen-2-ylacetamide
CID 71970651
2-(3,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 2675121
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 785974
2,6-dimethoxy-N-[(4-methoxy-3-methylphenyl)methyl]benzamide
CID 110779766
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
3-[(3,4-dimethoxyphenyl)methylamino]-N-(thiophen-2-ylmethyl)propanamide
CID 50969709
N-[(1,2-dimethylindol-5-yl)methyl]-2-thiophen-2-ylacetamide
CID 5080692
1-[(4-methoxy-3-methylphenyl)methyl]-2-methyl-3-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111673091
N-[(3,5-dichlorophenyl)methyl]-2-thiophen-2-ylacetamide
CID 2801025
3-amino-N-[(4-methoxy-3-methylphenyl)methyl]butanamide
CID 115154159
2-ethyl-N-[(4-methoxy-3-methylphenyl)methyl]butanamide
CID 110779755
N-[[4-(2-aminoethyl)phenyl]methyl]-2-thiophen-2-ylacetamide
CID 62502320

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-methylphenyl)methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(4-methoxy-3-methylphenyl)methyl]-2-thiophen-2-ylacetamide (CID 110779769) is N-[(4-methoxy-3-methylphenyl)methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(4-methoxy-3-methylphenyl)methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(4-methoxy-3-methylphenyl)methyl]-2-thiophen-2-ylacetamide is COc1ccc(CNC(=O)Cc2cccs2)cc1C.
What is the InChIKey of N-[(4-methoxy-3-methylphenyl)methyl]-2-thiophen-2-ylacetamide?
The InChIKey is URBZDWMKZXTQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-11-8-12(5-6-14(11)18-2)10-16-15(17)9-13-4-3-7-19-13/h3-8H,9-10H2,1-2H3,(H,16,17).
What are the key properties of N-[(4-methoxy-3-methylphenyl)methyl]-2-thiophen-2-ylacetamide?
N-[(4-methoxy-3-methylphenyl)methyl]-2-thiophen-2-ylacetamide has a molecular weight of 275.37 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3-methylphenyl)methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 110779769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).