[2-(4-acetamidoanilino)-2-oxoethyl] 2-thiophen-2-ylacetate

C16H16N2O4S — CID 2379693

IUPAC[2-(4-acetamidoanilino)-2-oxoethyl] 2-thiophen-2-ylacetate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)Cc2cccs2)cc1
InChIInChI=1S/C16H16N2O4S/c1-11(19)17-12-4-6-13(7-5-12)18-15(20)10-22-16(21)9-14-3-2-8-23-14/h2-8H,9-10H2,1H3,(H,17,19)(H,18,20)
InChIKeyUUOTZBFLMDTFQT-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.43
Rot. Bonds6

About [2-(4-acetamidoanilino)-2-oxoethyl] 2-thiophen-2-ylacetate

[2-(4-acetamidoanilino)-2-oxoethyl] 2-thiophen-2-ylacetate (PubChem CID 2379693) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is [2-(4-acetamidoanilino)-2-oxoethyl] 2-thiophen-2-ylacetate.

Molecular Properties

Compound Name[2-(4-acetamidoanilino)-2-oxoethyl] 2-thiophen-2-ylacetate
PubChem CID2379693
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name[2-(4-acetamidoanilino)-2-oxoethyl] 2-thiophen-2-ylacetate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)Cc2cccs2)cc1
InChIInChI=1S/C16H16N2O4S/c1-11(19)17-12-4-6-13(7-5-12)18-15(20)10-22-16(21)9-14-3-2-8-23-14/h2-8H,9-10H2,1H3,(H,17,19)(H,18,20)
InChIKeyUUOTZBFLMDTFQT-UHFFFAOYSA-N
XLogP2.43
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 2-thiophen-2-ylacetate?
The IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 2-thiophen-2-ylacetate (CID 2379693) is [2-(4-acetamidoanilino)-2-oxoethyl] 2-thiophen-2-ylacetate.
What is the SMILES notation for [2-(4-acetamidoanilino)-2-oxoethyl] 2-thiophen-2-ylacetate?
The canonical SMILES for [2-(4-acetamidoanilino)-2-oxoethyl] 2-thiophen-2-ylacetate is CC(=O)Nc1ccc(NC(=O)COC(=O)Cc2cccs2)cc1.
What is the InChIKey of [2-(4-acetamidoanilino)-2-oxoethyl] 2-thiophen-2-ylacetate?
The InChIKey is UUOTZBFLMDTFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-11(19)17-12-4-6-13(7-5-12)18-15(20)10-22-16(21)9-14-3-2-8-23-14/h2-8H,9-10H2,1H3,(H,17,19)(H,18,20).
What are the key properties of [2-(4-acetamidoanilino)-2-oxoethyl] 2-thiophen-2-ylacetate?
[2-(4-acetamidoanilino)-2-oxoethyl] 2-thiophen-2-ylacetate has a molecular weight of 332.38 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidoanilino)-2-oxoethyl] 2-thiophen-2-ylacetate is sourced from PubChem (CID 2379693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).