2-(4-acetyl-2,5-dimethylthiophen-3-yl)acetamide

C10H13NO2S — CID 14249925

IUPAC2-(4-acetyl-2,5-dimethylthiophen-3-yl)acetamide
SMILESCC(=O)c1c(C)sc(C)c1CC(N)=O
InChIInChI=1S/C10H13NO2S/c1-5(12)10-7(3)14-6(2)8(10)4-9(11)13/h4H2,1-3H3,(H2,11,13)
InChIKeyCALONVZGBQMURU-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.60
Rot. Bonds3

About 2-(4-acetyl-2,5-dimethylthiophen-3-yl)acetamide

2-(4-acetyl-2,5-dimethylthiophen-3-yl)acetamide (PubChem CID 14249925) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 2-(4-acetyl-2,5-dimethylthiophen-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-acetyl-2,5-dimethylthiophen-3-yl)acetamide
PubChem CID14249925
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name2-(4-acetyl-2,5-dimethylthiophen-3-yl)acetamide
SMILESCC(=O)c1c(C)sc(C)c1CC(N)=O
InChIInChI=1S/C10H13NO2S/c1-5(12)10-7(3)14-6(2)8(10)4-9(11)13/h4H2,1-3H3,(H2,11,13)
InChIKeyCALONVZGBQMURU-UHFFFAOYSA-N
XLogP1.60
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Acetyl-3-methyl-5-(methylthio)thiophene-2-carbothioamide
CID 2820659
4-Acetyl-3-methyl-5-methylsulfanylthiophene-2-carboxamide
CID 902092
3,4-Dimethylthiophene-2,5-dicarboxamide
CID 2804605
5-(Aminomethyl)-3,4-dimethylthiophene-2-carboxamide
CID 21866456
4,5-Dimethylthiophene-2,3-dicarboxamide
CID 57417689
2,4,5-Trimethylthiophene-3-carboxamide
CID 59001702
2-(3-Propanoylthiophen-2-yl)acetamide
CID 68144598
3,4-Dipropylthiophene-2,5-dicarboxamide
CID 69929668
4-Acetyl-3,5-dimethylthiophene-2-carbothioamide
CID 142937724
2-Methyl-5-(3-methylbut-2-en-2-yl)-4-propylthiophene-3-carboxamide
CID 156744946
(Z)-4-oxo-2,3-bis(2,4,5-trimethylthiophen-3-yl)pent-2-enamide
CID 163925455
N-tert-butyl-2-oxo-2-(2,4,5-trimethylthiophen-3-yl)acetamide
CID 166878854

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2,5-dimethylthiophen-3-yl)acetamide?
The IUPAC name of 2-(4-acetyl-2,5-dimethylthiophen-3-yl)acetamide (CID 14249925) is 2-(4-acetyl-2,5-dimethylthiophen-3-yl)acetamide.
What is the SMILES notation for 2-(4-acetyl-2,5-dimethylthiophen-3-yl)acetamide?
The canonical SMILES for 2-(4-acetyl-2,5-dimethylthiophen-3-yl)acetamide is CC(=O)c1c(C)sc(C)c1CC(N)=O.
What is the InChIKey of 2-(4-acetyl-2,5-dimethylthiophen-3-yl)acetamide?
The InChIKey is CALONVZGBQMURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-5(12)10-7(3)14-6(2)8(10)4-9(11)13/h4H2,1-3H3,(H2,11,13).
What are the key properties of 2-(4-acetyl-2,5-dimethylthiophen-3-yl)acetamide?
2-(4-acetyl-2,5-dimethylthiophen-3-yl)acetamide has a molecular weight of 211.29 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2,5-dimethylthiophen-3-yl)acetamide is sourced from PubChem (CID 14249925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).