(2-anilino-2-oxoethyl) 2-thiophen-3-ylacetate

C14H13NO3S — CID 2338161

IUPAC(2-anilino-2-oxoethyl) 2-thiophen-3-ylacetate
SMILESO=C(COC(=O)Cc1ccsc1)Nc1ccccc1
InChIInChI=1S/C14H13NO3S/c16-13(15-12-4-2-1-3-5-12)9-18-14(17)8-11-6-7-19-10-11/h1-7,10H,8-9H2,(H,15,16)
InChIKeyPPQGEJDCNBIEPW-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.47
Rot. Bonds5

About (2-anilino-2-oxoethyl) 2-thiophen-3-ylacetate

(2-anilino-2-oxoethyl) 2-thiophen-3-ylacetate (PubChem CID 2338161) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 2-thiophen-3-ylacetate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 2-thiophen-3-ylacetate
PubChem CID2338161
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Name(2-anilino-2-oxoethyl) 2-thiophen-3-ylacetate
SMILESO=C(COC(=O)Cc1ccsc1)Nc1ccccc1
InChIInChI=1S/C14H13NO3S/c16-13(15-12-4-2-1-3-5-12)9-18-14(17)8-11-6-7-19-10-11/h1-7,10H,8-9H2,(H,15,16)
InChIKeyPPQGEJDCNBIEPW-UHFFFAOYSA-N
XLogP2.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 2-thiophen-3-ylacetate?
The IUPAC name of (2-anilino-2-oxoethyl) 2-thiophen-3-ylacetate (CID 2338161) is (2-anilino-2-oxoethyl) 2-thiophen-3-ylacetate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 2-thiophen-3-ylacetate?
The canonical SMILES for (2-anilino-2-oxoethyl) 2-thiophen-3-ylacetate is O=C(COC(=O)Cc1ccsc1)Nc1ccccc1.
What is the InChIKey of (2-anilino-2-oxoethyl) 2-thiophen-3-ylacetate?
The InChIKey is PPQGEJDCNBIEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c16-13(15-12-4-2-1-3-5-12)9-18-14(17)8-11-6-7-19-10-11/h1-7,10H,8-9H2,(H,15,16).
What are the key properties of (2-anilino-2-oxoethyl) 2-thiophen-3-ylacetate?
(2-anilino-2-oxoethyl) 2-thiophen-3-ylacetate has a molecular weight of 275.33 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 2-thiophen-3-ylacetate is sourced from PubChem (CID 2338161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).