methyl 3-acetamido-5-methylthiophene-2-carboxylate

C9H11NO3S — CID 901447

IUPACmethyl 3-acetamido-5-methylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(C)cc1NC(C)=O
InChIInChI=1S/C9H11NO3S/c1-5-4-7(10-6(2)11)8(14-5)9(12)13-3/h4H,1-3H3,(H,10,11)
InChIKeyUWONUFLCPRUOHG-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.80
Rot. Bonds2

About methyl 3-acetamido-5-methylthiophene-2-carboxylate

methyl 3-acetamido-5-methylthiophene-2-carboxylate (PubChem CID 901447) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is methyl 3-acetamido-5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-acetamido-5-methylthiophene-2-carboxylate
PubChem CID901447
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Namemethyl 3-acetamido-5-methylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(C)cc1NC(C)=O
InChIInChI=1S/C9H11NO3S/c1-5-4-7(10-6(2)11)8(14-5)9(12)13-3/h4H,1-3H3,(H,10,11)
InChIKeyUWONUFLCPRUOHG-UHFFFAOYSA-N
XLogP1.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-acetamido-5-methylthiophene-2-carboxylate?
The IUPAC name of methyl 3-acetamido-5-methylthiophene-2-carboxylate (CID 901447) is methyl 3-acetamido-5-methylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-acetamido-5-methylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-acetamido-5-methylthiophene-2-carboxylate is COC(=O)c1sc(C)cc1NC(C)=O.
What is the InChIKey of methyl 3-acetamido-5-methylthiophene-2-carboxylate?
The InChIKey is UWONUFLCPRUOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c1-5-4-7(10-6(2)11)8(14-5)9(12)13-3/h4H,1-3H3,(H,10,11).
What are the key properties of methyl 3-acetamido-5-methylthiophene-2-carboxylate?
methyl 3-acetamido-5-methylthiophene-2-carboxylate has a molecular weight of 213.26 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-acetamido-5-methylthiophene-2-carboxylate is sourced from PubChem (CID 901447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).