4-acetyl-3-methyl-5-methylsulfanylthiophene-2-carboxamide

C9H11NO2S2 — CID 902092

IUPAC4-acetyl-3-methyl-5-methylsulfanylthiophene-2-carboxamide
SMILESCSc1sc(C(N)=O)c(C)c1C(C)=O
InChIInChI=1S/C9H11NO2S2/c1-4-6(5(2)11)9(13-3)14-7(4)8(10)12/h1-3H3,(H2,10,12)
InChIKeyWYAPHIOOGBIQOY-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.08
Rot. Bonds3

About 4-acetyl-3-methyl-5-methylsulfanylthiophene-2-carboxamide

4-acetyl-3-methyl-5-methylsulfanylthiophene-2-carboxamide (PubChem CID 902092) has the molecular formula C9H11NO2S2 and a molecular weight of 229.33 g/mol. Its IUPAC name is 4-acetyl-3-methyl-5-methylsulfanylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-3-methyl-5-methylsulfanylthiophene-2-carboxamide
PubChem CID902092
Molecular FormulaC9H11NO2S2
Molecular Weight229.33 g/mol
Exact Mass229.02
IUPAC Name4-acetyl-3-methyl-5-methylsulfanylthiophene-2-carboxamide
SMILESCSc1sc(C(N)=O)c(C)c1C(C)=O
InChIInChI=1S/C9H11NO2S2/c1-4-6(5(2)11)9(13-3)14-7(4)8(10)12/h1-3H3,(H2,10,12)
InChIKeyWYAPHIOOGBIQOY-UHFFFAOYSA-N
XLogP2.08
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3-methyl-5-methylsulfanylthiophene-2-carboxamide?
The IUPAC name of 4-acetyl-3-methyl-5-methylsulfanylthiophene-2-carboxamide (CID 902092) is 4-acetyl-3-methyl-5-methylsulfanylthiophene-2-carboxamide.
What is the SMILES notation for 4-acetyl-3-methyl-5-methylsulfanylthiophene-2-carboxamide?
The canonical SMILES for 4-acetyl-3-methyl-5-methylsulfanylthiophene-2-carboxamide is CSc1sc(C(N)=O)c(C)c1C(C)=O.
What is the InChIKey of 4-acetyl-3-methyl-5-methylsulfanylthiophene-2-carboxamide?
The InChIKey is WYAPHIOOGBIQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S2/c1-4-6(5(2)11)9(13-3)14-7(4)8(10)12/h1-3H3,(H2,10,12).
What are the key properties of 4-acetyl-3-methyl-5-methylsulfanylthiophene-2-carboxamide?
4-acetyl-3-methyl-5-methylsulfanylthiophene-2-carboxamide has a molecular weight of 229.33 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3-methyl-5-methylsulfanylthiophene-2-carboxamide is sourced from PubChem (CID 902092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).