[2-(4-acetylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate

C16H15NO4S — CID 2370607

IUPAC[2-(4-acetylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESCC(=O)c1ccc(NC(=O)COC(=O)Cc2ccsc2)cc1
InChIInChI=1S/C16H15NO4S/c1-11(18)13-2-4-14(5-3-13)17-15(19)9-21-16(20)8-12-6-7-22-10-12/h2-7,10H,8-9H2,1H3,(H,17,19)
InChIKeyZQGJYHHOSYTCPH-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.68
Rot. Bonds6

About [2-(4-acetylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate

[2-(4-acetylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate (PubChem CID 2370607) has the molecular formula C16H15NO4S and a molecular weight of 317.37 g/mol. Its IUPAC name is [2-(4-acetylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate.

Molecular Properties

Compound Name[2-(4-acetylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
PubChem CID2370607
Molecular FormulaC16H15NO4S
Molecular Weight317.37 g/mol
Exact Mass317.07
IUPAC Name[2-(4-acetylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESCC(=O)c1ccc(NC(=O)COC(=O)Cc2ccsc2)cc1
InChIInChI=1S/C16H15NO4S/c1-11(18)13-2-4-14(5-3-13)17-15(19)9-21-16(20)8-12-6-7-22-10-12/h2-7,10H,8-9H2,1H3,(H,17,19)
InChIKeyZQGJYHHOSYTCPH-UHFFFAOYSA-N
XLogP2.68
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-acetylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate?
The IUPAC name of [2-(4-acetylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate (CID 2370607) is [2-(4-acetylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate.
What is the SMILES notation for [2-(4-acetylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate?
The canonical SMILES for [2-(4-acetylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate is CC(=O)c1ccc(NC(=O)COC(=O)Cc2ccsc2)cc1.
What is the InChIKey of [2-(4-acetylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate?
The InChIKey is ZQGJYHHOSYTCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4S/c1-11(18)13-2-4-14(5-3-13)17-15(19)9-21-16(20)8-12-6-7-22-10-12/h2-7,10H,8-9H2,1H3,(H,17,19).
What are the key properties of [2-(4-acetylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate?
[2-(4-acetylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate has a molecular weight of 317.37 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate is sourced from PubChem (CID 2370607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).