methyl 4-acetamido-2-methylthiophene-3-carboxylate

C9H11NO3S — CID 2808345

IUPACmethyl 4-acetamido-2-methylthiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(C)=O)csc1C
InChIInChI=1S/C9H11NO3S/c1-5-8(9(12)13-3)7(4-14-5)10-6(2)11/h4H,1-3H3,(H,10,11)
InChIKeyZQGQRCPDMRAGGC-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.80
Rot. Bonds2

About methyl 4-acetamido-2-methylthiophene-3-carboxylate

methyl 4-acetamido-2-methylthiophene-3-carboxylate (PubChem CID 2808345) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is methyl 4-acetamido-2-methylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-acetamido-2-methylthiophene-3-carboxylate
PubChem CID2808345
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Namemethyl 4-acetamido-2-methylthiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(C)=O)csc1C
InChIInChI=1S/C9H11NO3S/c1-5-8(9(12)13-3)7(4-14-5)10-6(2)11/h4H,1-3H3,(H,10,11)
InChIKeyZQGQRCPDMRAGGC-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 4-acetamido-2-methylthiophene-3-carboxylate?
The IUPAC name of methyl 4-acetamido-2-methylthiophene-3-carboxylate (CID 2808345) is methyl 4-acetamido-2-methylthiophene-3-carboxylate.
What is the SMILES notation for methyl 4-acetamido-2-methylthiophene-3-carboxylate?
The canonical SMILES for methyl 4-acetamido-2-methylthiophene-3-carboxylate is COC(=O)c1c(NC(C)=O)csc1C.
What is the InChIKey of methyl 4-acetamido-2-methylthiophene-3-carboxylate?
The InChIKey is ZQGQRCPDMRAGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c1-5-8(9(12)13-3)7(4-14-5)10-6(2)11/h4H,1-3H3,(H,10,11).
What are the key properties of methyl 4-acetamido-2-methylthiophene-3-carboxylate?
methyl 4-acetamido-2-methylthiophene-3-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 4-acetamido-2-methylthiophene-3-carboxylate is sourced from PubChem (CID 2808345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).