2-(3,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)acetamide

C15H17NOS — CID 2675121

IUPAC2-(3,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccc(CC(=O)NCc2cccs2)cc1C
InChIInChI=1S/C15H17NOS/c1-11-5-6-13(8-12(11)2)9-15(17)16-10-14-4-3-7-18-14/h3-8H,9-10H2,1-2H3,(H,16,17)
InChIKeyKPTWXVJBJZHQJS-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.22
Rot. Bonds4

About 2-(3,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)acetamide

2-(3,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 2675121) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID2675121
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name2-(3,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccc(CC(=O)NCc2cccs2)cc1C
InChIInChI=1S/C15H17NOS/c1-11-5-6-13(8-12(11)2)9-15(17)16-10-14-4-3-7-18-14/h3-8H,9-10H2,1-2H3,(H,16,17)
InChIKeyKPTWXVJBJZHQJS-UHFFFAOYSA-N
XLogP3.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
N-[(4-methoxy-3-methylphenyl)methyl]-2-thiophen-2-ylacetamide
CID 110779769
2-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 78806113
4-(3,4-dimethylphenyl)-4-oxo-N-(thiophen-2-ylmethyl)butanamide
CID 35009611
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(3,4-dimethylphenyl)acetate
CID 8952411
2-(4-acetamidophenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 9363258
N-[(3-methyl-4-methylsulfonylphenyl)methyl]-2-thiophen-2-ylacetamide
CID 71970651
2-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 17172905
N-[(4-bromophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 62537978
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
3-bromo-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 79460548
2-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 3580913

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)acetamide (CID 2675121) is 2-(3,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)acetamide is Cc1ccc(CC(=O)NCc2cccs2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is KPTWXVJBJZHQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-11-5-6-13(8-12(11)2)9-15(17)16-10-14-4-3-7-18-14/h3-8H,9-10H2,1-2H3,(H,16,17).
What are the key properties of 2-(3,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)acetamide?
2-(3,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 259.37 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 2675121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).