[2-(2-ethoxyanilino)-2-oxoethyl] 4-thiophen-2-ylbutanoate

C18H21NO4S — CID 7962812

IUPAC[2-(2-ethoxyanilino)-2-oxoethyl] 4-thiophen-2-ylbutanoate
SMILESCCOc1ccccc1NC(=O)COC(=O)CCCc1cccs1
InChIInChI=1S/C18H21NO4S/c1-2-22-16-10-4-3-9-15(16)19-17(20)13-23-18(21)11-5-7-14-8-6-12-24-14/h3-4,6,8-10,12H,2,5,7,11,13H2,1H3,(H,19,20)
InChIKeyLCSQYNZWAJQZMC-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.65
Rot. Bonds9

About [2-(2-ethoxyanilino)-2-oxoethyl] 4-thiophen-2-ylbutanoate

[2-(2-ethoxyanilino)-2-oxoethyl] 4-thiophen-2-ylbutanoate (PubChem CID 7962812) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is [2-(2-ethoxyanilino)-2-oxoethyl] 4-thiophen-2-ylbutanoate.

Molecular Properties

Compound Name[2-(2-ethoxyanilino)-2-oxoethyl] 4-thiophen-2-ylbutanoate
PubChem CID7962812
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name[2-(2-ethoxyanilino)-2-oxoethyl] 4-thiophen-2-ylbutanoate
SMILESCCOc1ccccc1NC(=O)COC(=O)CCCc1cccs1
InChIInChI=1S/C18H21NO4S/c1-2-22-16-10-4-3-9-15(16)19-17(20)13-23-18(21)11-5-7-14-8-6-12-24-14/h3-4,6,8-10,12H,2,5,7,11,13H2,1H3,(H,19,20)
InChIKeyLCSQYNZWAJQZMC-UHFFFAOYSA-N
XLogP3.65
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-methylsulfanylanilino)-2-oxoethyl] 4-thiophen-2-ylbutanoate
CID 7962866
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-thiophen-2-ylbutanoate
CID 7962482
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 4-thiophen-2-ylbutanoate
CID 7962575
[2-(4-bromoanilino)-2-oxoethyl] 4-thiophen-2-ylbutanoate
CID 7962756
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 8505147
[2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 4-thiophen-2-ylbutanoate
CID 30108251
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-thiophen-2-ylpropanoate
CID 8529441
[2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-thiophen-2-ylbutanoate
CID 7962610
N-[2-(difluoromethoxy)phenyl]-4-thiophen-2-ylbutanamide
CID 78770266
N-(2-methoxyphenyl)-3-thiophen-2-ylpropanamide
CID 17423672
[2-(3,4-difluoroanilino)-2-oxoethyl] 4-thiophen-2-ylbutanoate
CID 7962789
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9317763

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 4-thiophen-2-ylbutanoate?
The IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 4-thiophen-2-ylbutanoate (CID 7962812) is [2-(2-ethoxyanilino)-2-oxoethyl] 4-thiophen-2-ylbutanoate.
What is the SMILES notation for [2-(2-ethoxyanilino)-2-oxoethyl] 4-thiophen-2-ylbutanoate?
The canonical SMILES for [2-(2-ethoxyanilino)-2-oxoethyl] 4-thiophen-2-ylbutanoate is CCOc1ccccc1NC(=O)COC(=O)CCCc1cccs1.
What is the InChIKey of [2-(2-ethoxyanilino)-2-oxoethyl] 4-thiophen-2-ylbutanoate?
The InChIKey is LCSQYNZWAJQZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-2-22-16-10-4-3-9-15(16)19-17(20)13-23-18(21)11-5-7-14-8-6-12-24-14/h3-4,6,8-10,12H,2,5,7,11,13H2,1H3,(H,19,20).
What are the key properties of [2-(2-ethoxyanilino)-2-oxoethyl] 4-thiophen-2-ylbutanoate?
[2-(2-ethoxyanilino)-2-oxoethyl] 4-thiophen-2-ylbutanoate has a molecular weight of 347.44 g/mol, XLogP of 3.65, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxyanilino)-2-oxoethyl] 4-thiophen-2-ylbutanoate is sourced from PubChem (CID 7962812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).