[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2-thiophen-2-ylacetate

C21H19NO4S — CID 7799166

IUPAC[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2-thiophen-2-ylacetate
SMILESO=C(COC(=O)Cc1cccs1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H19NO4S/c23-20(15-26-21(24)13-19-7-4-12-27-19)22-17-8-10-18(11-9-17)25-14-16-5-2-1-3-6-16/h1-12H,13-15H2,(H,22,23)
InChIKeyGEMLCWFIDQNWKR-UHFFFAOYSA-N
MW381.45 g/mol
LogP4.05
Rot. Bonds8

About [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2-thiophen-2-ylacetate

[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2-thiophen-2-ylacetate (PubChem CID 7799166) has the molecular formula C21H19NO4S and a molecular weight of 381.45 g/mol. Its IUPAC name is [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2-thiophen-2-ylacetate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2-thiophen-2-ylacetate
PubChem CID7799166
Molecular FormulaC21H19NO4S
Molecular Weight381.45 g/mol
Exact Mass381.10
IUPAC Name[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2-thiophen-2-ylacetate
SMILESO=C(COC(=O)Cc1cccs1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H19NO4S/c23-20(15-26-21(24)13-19-7-4-12-27-19)22-17-8-10-18(11-9-17)25-14-16-5-2-1-3-6-16/h1-12H,13-15H2,(H,22,23)
InChIKeyGEMLCWFIDQNWKR-UHFFFAOYSA-N
XLogP4.05
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-ethylanilino)-2-oxoethyl] 2-thiophen-2-ylacetate
CID 7799264
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2-(2-methylphenyl)acetate
CID 7489257
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-thiophen-2-ylacetate
CID 7798869
ethyl 4-[[2-(2-thiophen-2-ylacetyl)oxyacetyl]amino]benzoate
CID 7799286
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-thiophen-2-ylacetate
CID 7799163
N-(4-phenylmethoxyphenyl)-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide
CID 42966966
butyl 4-[[2-(2-thiophen-2-ylacetyl)oxyacetyl]amino]benzoate
CID 7798928
N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-2-thiophen-2-ylacetamide
CID 43175462
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-hydroxybenzoate
CID 2426200
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 4-phenylmethoxybenzoate
CID 8952047
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2-(3-methylphenoxy)acetate
CID 7853518
2-[2-oxo-2-[4-(2-phenylethoxy)anilino]ethoxy]-N-(thiophen-2-ylmethyl)acetamide
CID 3889056

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2-thiophen-2-ylacetate?
The IUPAC name of [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2-thiophen-2-ylacetate (CID 7799166) is [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2-thiophen-2-ylacetate.
What is the SMILES notation for [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2-thiophen-2-ylacetate?
The canonical SMILES for [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2-thiophen-2-ylacetate is O=C(COC(=O)Cc1cccs1)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2-thiophen-2-ylacetate?
The InChIKey is GEMLCWFIDQNWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4S/c23-20(15-26-21(24)13-19-7-4-12-27-19)22-17-8-10-18(11-9-17)25-14-16-5-2-1-3-6-16/h1-12H,13-15H2,(H,22,23).
What are the key properties of [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2-thiophen-2-ylacetate?
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2-thiophen-2-ylacetate has a molecular weight of 381.45 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2-thiophen-2-ylacetate is sourced from PubChem (CID 7799166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).