ethyl 2-acetamido-5-formylthiophene-3-carboxylate

C10H11NO4S — CID 143287223

IUPACethyl 2-acetamido-5-formylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C=O)sc1NC(C)=O
InChIInChI=1S/C10H11NO4S/c1-3-15-10(14)8-4-7(5-12)16-9(8)11-6(2)13/h4-5H,3H2,1-2H3,(H,11,13)
InChIKeyBOSZRWSNHQDMMP-UHFFFAOYSA-N
MW241.27 g/mol
LogP1.70
Rot. Bonds4

About ethyl 2-acetamido-5-formylthiophene-3-carboxylate

ethyl 2-acetamido-5-formylthiophene-3-carboxylate (PubChem CID 143287223) has the molecular formula C10H11NO4S and a molecular weight of 241.27 g/mol. Its IUPAC name is ethyl 2-acetamido-5-formylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-acetamido-5-formylthiophene-3-carboxylate
PubChem CID143287223
Molecular FormulaC10H11NO4S
Molecular Weight241.27 g/mol
Exact Mass241.04
IUPAC Nameethyl 2-acetamido-5-formylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C=O)sc1NC(C)=O
InChIInChI=1S/C10H11NO4S/c1-3-15-10(14)8-4-7(5-12)16-9(8)11-6(2)13/h4-5H,3H2,1-2H3,(H,11,13)
InChIKeyBOSZRWSNHQDMMP-UHFFFAOYSA-N
XLogP1.70
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethyl 5-formyl-3-methylthiophene-2-carboxylate
CID 165454196
ethyl 2-acetamido-5-[(1,3-dioxoisoindol-2-yl)methyl]thiophene-3-carboxylate
CID 110496069
ethyl 2-[(2-aminoacetyl)amino]-5-methylthiophene-3-carboxylate
CID 63619076
ethyl 5-methyl-2-(propylcarbamoylamino)thiophene-3-carboxylate
CID 63616856
ethyl 5-ethyl-2-[3-(ethylamino)propanoylamino]thiophene-3-carboxylate
CID 62834986
ethyl 2-[(2-amino-2-methylpropanoyl)amino]-5-methylthiophene-3-carboxylate
CID 63618036
ethyl 5-methyl-2-(pyrrolidine-1-carbonylamino)thiophene-3-carboxylate
CID 79161946
ethyl 5-nitro-2-(propanoylamino)thiophene-3-carboxylate
CID 7121685
6-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]-6-oxohexanoic acid
CID 63618723
2-[2-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569937
ethyl 5-methyl-2-(piperidine-1-carbonylamino)thiophene-3-carboxylate
CID 79155647
ethyl 2-[(2-amino-2-ethylbutanoyl)amino]-5-ethylthiophene-3-carboxylate
CID 79812984

Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetamido-5-formylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-acetamido-5-formylthiophene-3-carboxylate (CID 143287223) is ethyl 2-acetamido-5-formylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-acetamido-5-formylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-acetamido-5-formylthiophene-3-carboxylate is CCOC(=O)c1cc(C=O)sc1NC(C)=O.
What is the InChIKey of ethyl 2-acetamido-5-formylthiophene-3-carboxylate?
The InChIKey is BOSZRWSNHQDMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4S/c1-3-15-10(14)8-4-7(5-12)16-9(8)11-6(2)13/h4-5H,3H2,1-2H3,(H,11,13).
What are the key properties of ethyl 2-acetamido-5-formylthiophene-3-carboxylate?
ethyl 2-acetamido-5-formylthiophene-3-carboxylate has a molecular weight of 241.27 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetamido-5-formylthiophene-3-carboxylate is sourced from PubChem (CID 143287223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).