[2-(2,6-diethylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate

C18H21NO3S — CID 2338102

IUPAC[2-(2,6-diethylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESCCc1cccc(CC)c1NC(=O)COC(=O)Cc1ccsc1
InChIInChI=1S/C18H21NO3S/c1-3-14-6-5-7-15(4-2)18(14)19-16(20)11-22-17(21)10-13-8-9-23-12-13/h5-9,12H,3-4,10-11H2,1-2H3,(H,19,20)
InChIKeyFUHIOAPNZUQBSU-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.60
Rot. Bonds7

About [2-(2,6-diethylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate

[2-(2,6-diethylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate (PubChem CID 2338102) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is [2-(2,6-diethylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate.

Molecular Properties

Compound Name[2-(2,6-diethylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
PubChem CID2338102
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Name[2-(2,6-diethylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESCCc1cccc(CC)c1NC(=O)COC(=O)Cc1ccsc1
InChIInChI=1S/C18H21NO3S/c1-3-14-6-5-7-15(4-2)18(14)19-16(20)11-22-17(21)10-13-8-9-23-12-13/h5-9,12H,3-4,10-11H2,1-2H3,(H,19,20)
InChIKeyFUHIOAPNZUQBSU-UHFFFAOYSA-N
XLogP3.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,6-diethylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 1191215
N-(2-ethyl-6-methylphenyl)-2-thiophen-3-ylacetamide
CID 2603904
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2556336
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 4668327
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840226
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983325
[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-thiophen-3-ylacetate
CID 7765561
[2-(2,6-difluoroanilino)-2-oxoethyl] 3-thiophen-3-ylpropanoate
CID 8610869
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-thiophen-3-ylacetate
CID 2344902
[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-thiophen-3-ylacetate
CID 9080532
[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-thiophen-3-ylacetate
CID 7968657
N-(2-ethylphenyl)-2-thiophen-3-ylacetamide
CID 7750935

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-diethylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate?
The IUPAC name of [2-(2,6-diethylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate (CID 2338102) is [2-(2,6-diethylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate.
What is the SMILES notation for [2-(2,6-diethylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate?
The canonical SMILES for [2-(2,6-diethylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate is CCc1cccc(CC)c1NC(=O)COC(=O)Cc1ccsc1.
What is the InChIKey of [2-(2,6-diethylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate?
The InChIKey is FUHIOAPNZUQBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-3-14-6-5-7-15(4-2)18(14)19-16(20)11-22-17(21)10-13-8-9-23-12-13/h5-9,12H,3-4,10-11H2,1-2H3,(H,19,20).
What are the key properties of [2-(2,6-diethylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate?
[2-(2,6-diethylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate has a molecular weight of 331.44 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-diethylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate is sourced from PubChem (CID 2338102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).