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

C16H17NO4S — CID 2359404

IUPAC[2-(4-ethoxyanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESCCOc1ccc(NC(=O)COC(=O)Cc2ccsc2)cc1
InChIInChI=1S/C16H17NO4S/c1-2-20-14-5-3-13(4-6-14)17-15(18)10-21-16(19)9-12-7-8-22-11-12/h3-8,11H,2,9-10H2,1H3,(H,17,18)
InChIKeyOUNXHPCJZYASNY-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.87
Rot. Bonds7

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

[2-(4-ethoxyanilino)-2-oxoethyl] 2-thiophen-3-ylacetate (PubChem CID 2359404) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is [2-(4-ethoxyanilino)-2-oxoethyl] 2-thiophen-3-ylacetate.

Molecular Properties

Compound Name[2-(4-ethoxyanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
PubChem CID2359404
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC Name[2-(4-ethoxyanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESCCOc1ccc(NC(=O)COC(=O)Cc2ccsc2)cc1
InChIInChI=1S/C16H17NO4S/c1-2-20-14-5-3-13(4-6-14)17-15(18)10-21-16(19)9-12-7-8-22-11-12/h3-8,11H,2,9-10H2,1H3,(H,17,18)
InChIKeyOUNXHPCJZYASNY-UHFFFAOYSA-N
XLogP2.87
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(Acetylamino)phenyl 2-thiophenecarboxylate
CID 128894
N-(2-ethoxyphenyl)-2-(2-thienyl)acetamide
CID 670141
N-(2-Ethoxyphenyl)-4,5-dimethyl-3-thiophenecarboxamide
CID 1245175
Methyl 3-{[(3-methylphenoxy)acetyl]amino}-2-thiophenecarboxylate
CID 1266472
[2-(2-methoxyanilino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 2342860
2-((3-Methoxyphenyl)amino)-2-oxoethyl 3-methylthiophene-2-carboxylate
CID 2352927
[2-(4-Methoxyanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 2380163
3-methyl-N-(4-phenylmethoxyphenyl)thiophene-2-carboxamide
CID 2469877
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide
CID 9438703
N-(2-methoxyphenyl)-2-thiophen-3-ylacetamide
CID 16234675
N-(4-phenylmethoxyphenyl)thiophene-2-carboxamide
CID 676067
N-(4-{[(4-methoxyphenoxy)acetyl]amino}phenyl)thiophene-2-carboxamide
CID 1077053

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyanilino)-2-oxoethyl] 2-thiophen-3-ylacetate?
The IUPAC name of [2-(4-ethoxyanilino)-2-oxoethyl] 2-thiophen-3-ylacetate (CID 2359404) is [2-(4-ethoxyanilino)-2-oxoethyl] 2-thiophen-3-ylacetate.
What is the SMILES notation for [2-(4-ethoxyanilino)-2-oxoethyl] 2-thiophen-3-ylacetate?
The canonical SMILES for [2-(4-ethoxyanilino)-2-oxoethyl] 2-thiophen-3-ylacetate is CCOc1ccc(NC(=O)COC(=O)Cc2ccsc2)cc1.
What is the InChIKey of [2-(4-ethoxyanilino)-2-oxoethyl] 2-thiophen-3-ylacetate?
The InChIKey is OUNXHPCJZYASNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-2-20-14-5-3-13(4-6-14)17-15(18)10-21-16(19)9-12-7-8-22-11-12/h3-8,11H,2,9-10H2,1H3,(H,17,18).
What are the key properties of [2-(4-ethoxyanilino)-2-oxoethyl] 2-thiophen-3-ylacetate?
[2-(4-ethoxyanilino)-2-oxoethyl] 2-thiophen-3-ylacetate has a molecular weight of 319.38 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyanilino)-2-oxoethyl] 2-thiophen-3-ylacetate is sourced from PubChem (CID 2359404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).