[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate

C20H23NO4S — CID 46790485

IUPAC[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
SMILESCCc1ccc(C(C)NC(=O)COC(=O)CCC(=O)c2cccs2)cc1
InChIInChI=1S/C20H23NO4S/c1-3-15-6-8-16(9-7-15)14(2)21-19(23)13-25-20(24)11-10-17(22)18-5-4-12-26-18/h4-9,12,14H,3,10-11,13H2,1-2H3,(H,21,23)
InChIKeyARRXAEFYYSUSBG-UHFFFAOYSA-N
MW373.47 g/mol
LogP3.69
Rot. Bonds9

About [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate

[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate (PubChem CID 46790485) has the molecular formula C20H23NO4S and a molecular weight of 373.47 g/mol. Its IUPAC name is [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate.

Molecular Properties

Compound Name[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
PubChem CID46790485
Molecular FormulaC20H23NO4S
Molecular Weight373.47 g/mol
Exact Mass373.13
IUPAC Name[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
SMILESCCc1ccc(C(C)NC(=O)COC(=O)CCC(=O)c2cccs2)cc1
InChIInChI=1S/C20H23NO4S/c1-3-15-6-8-16(9-7-15)14(2)21-19(23)13-25-20(24)11-10-17(22)18-5-4-12-26-18/h4-9,12,14H,3,10-11,13H2,1-2H3,(H,21,23)
InChIKeyARRXAEFYYSUSBG-UHFFFAOYSA-N
XLogP3.69
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 8579596
[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 7800136
4-oxo-N-[(1S)-1-phenylethyl]-4-thiophen-2-ylbutanamide
CID 2704695
[2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 46613591
N-[(1S)-1-(4-bromophenyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 9218839
[2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl] thiophene-2-carboxylate
CID 46924888
[2-oxo-2-[2-[[2-(4-oxo-4-thiophen-2-ylbutanoyl)oxyacetyl]amino]ethylamino]ethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 16540287
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 7799608
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate
CID 7523750
[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 7583413
N-[1-(4-chlorophenyl)ethyl]-4,7-dioxo-7-thiophen-2-ylheptanamide
CID 42956084
N-[(1S)-1-(4-chlorophenyl)ethyl]-4,7-dioxo-7-thiophen-2-ylheptanamide
CID 39920108

Frequently Asked Questions

What is the IUPAC name of [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate?
The IUPAC name of [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate (CID 46790485) is [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate.
What is the SMILES notation for [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate?
The canonical SMILES for [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate is CCc1ccc(C(C)NC(=O)COC(=O)CCC(=O)c2cccs2)cc1.
What is the InChIKey of [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate?
The InChIKey is ARRXAEFYYSUSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4S/c1-3-15-6-8-16(9-7-15)14(2)21-19(23)13-25-20(24)11-10-17(22)18-5-4-12-26-18/h4-9,12,14H,3,10-11,13H2,1-2H3,(H,21,23).
What are the key properties of [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate?
[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate has a molecular weight of 373.47 g/mol, XLogP of 3.69, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate is sourced from PubChem (CID 46790485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).