[2-(3-acetylanilino)-2-oxoethyl] thiophene-2-carboxylate

C15H13NO4S — CID 2353604

IUPAC[2-(3-acetylanilino)-2-oxoethyl] thiophene-2-carboxylate
SMILESCC(=O)c1cccc(NC(=O)COC(=O)c2cccs2)c1
InChIInChI=1S/C15H13NO4S/c1-10(17)11-4-2-5-12(8-11)16-14(18)9-20-15(19)13-6-3-7-21-13/h2-8H,9H2,1H3,(H,16,18)
InChIKeyJPZIQVHLBKUACP-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.75
Rot. Bonds5

About [2-(3-acetylanilino)-2-oxoethyl] thiophene-2-carboxylate

[2-(3-acetylanilino)-2-oxoethyl] thiophene-2-carboxylate (PubChem CID 2353604) has the molecular formula C15H13NO4S and a molecular weight of 303.34 g/mol. Its IUPAC name is [2-(3-acetylanilino)-2-oxoethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(3-acetylanilino)-2-oxoethyl] thiophene-2-carboxylate
PubChem CID2353604
Molecular FormulaC15H13NO4S
Molecular Weight303.34 g/mol
Exact Mass303.06
IUPAC Name[2-(3-acetylanilino)-2-oxoethyl] thiophene-2-carboxylate
SMILESCC(=O)c1cccc(NC(=O)COC(=O)c2cccs2)c1
InChIInChI=1S/C15H13NO4S/c1-10(17)11-4-2-5-12(8-11)16-14(18)9-20-15(19)13-6-3-7-21-13/h2-8H,9H2,1H3,(H,16,18)
InChIKeyJPZIQVHLBKUACP-UHFFFAOYSA-N
XLogP2.75
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(3-acetylanilino)-2-oxoethyl] thiophene-2-carboxylate?
The IUPAC name of [2-(3-acetylanilino)-2-oxoethyl] thiophene-2-carboxylate (CID 2353604) is [2-(3-acetylanilino)-2-oxoethyl] thiophene-2-carboxylate.
What is the SMILES notation for [2-(3-acetylanilino)-2-oxoethyl] thiophene-2-carboxylate?
The canonical SMILES for [2-(3-acetylanilino)-2-oxoethyl] thiophene-2-carboxylate is CC(=O)c1cccc(NC(=O)COC(=O)c2cccs2)c1.
What is the InChIKey of [2-(3-acetylanilino)-2-oxoethyl] thiophene-2-carboxylate?
The InChIKey is JPZIQVHLBKUACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4S/c1-10(17)11-4-2-5-12(8-11)16-14(18)9-20-15(19)13-6-3-7-21-13/h2-8H,9H2,1H3,(H,16,18).
What are the key properties of [2-(3-acetylanilino)-2-oxoethyl] thiophene-2-carboxylate?
[2-(3-acetylanilino)-2-oxoethyl] thiophene-2-carboxylate has a molecular weight of 303.34 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-acetylanilino)-2-oxoethyl] thiophene-2-carboxylate is sourced from PubChem (CID 2353604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).