[2-(2-methylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate

C15H15NO3S — CID 2338215

IUPAC[2-(2-methylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESCc1ccccc1NC(=O)COC(=O)Cc1ccsc1
InChIInChI=1S/C15H15NO3S/c1-11-4-2-3-5-13(11)16-14(17)9-19-15(18)8-12-6-7-20-10-12/h2-7,10H,8-9H2,1H3,(H,16,17)
InChIKeyQHRQOMCIGHEOCI-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.78
Rot. Bonds5

About [2-(2-methylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate

[2-(2-methylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate (PubChem CID 2338215) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is [2-(2-methylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate.

Molecular Properties

Compound Name[2-(2-methylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
PubChem CID2338215
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name[2-(2-methylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESCc1ccccc1NC(=O)COC(=O)Cc1ccsc1
InChIInChI=1S/C15H15NO3S/c1-11-4-2-3-5-13(11)16-14(17)9-19-15(18)8-12-6-7-20-10-12/h2-7,10H,8-9H2,1H3,(H,16,17)
InChIKeyQHRQOMCIGHEOCI-UHFFFAOYSA-N
XLogP2.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate?
The IUPAC name of [2-(2-methylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate (CID 2338215) is [2-(2-methylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate.
What is the SMILES notation for [2-(2-methylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate?
The canonical SMILES for [2-(2-methylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate is Cc1ccccc1NC(=O)COC(=O)Cc1ccsc1.
What is the InChIKey of [2-(2-methylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate?
The InChIKey is QHRQOMCIGHEOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-11-4-2-3-5-13(11)16-14(17)9-19-15(18)8-12-6-7-20-10-12/h2-7,10H,8-9H2,1H3,(H,16,17).
What are the key properties of [2-(2-methylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate?
[2-(2-methylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate has a molecular weight of 289.36 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate is sourced from PubChem (CID 2338215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).