[2-(4-ethoxyanilino)-2-oxoethyl] 2-phenylsulfanylacetate

C18H19NO4S — CID 2616661

IUPAC[2-(4-ethoxyanilino)-2-oxoethyl] 2-phenylsulfanylacetate
SMILESCCOc1ccc(NC(=O)COC(=O)CSc2ccccc2)cc1
InChIInChI=1S/C18H19NO4S/c1-2-22-15-10-8-14(9-11-15)19-17(20)12-23-18(21)13-24-16-6-4-3-5-7-16/h3-11H,2,12-13H2,1H3,(H,19,20)
InChIKeyYSOYJWJUDKOYIO-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.36
Rot. Bonds8

About [2-(4-ethoxyanilino)-2-oxoethyl] 2-phenylsulfanylacetate

[2-(4-ethoxyanilino)-2-oxoethyl] 2-phenylsulfanylacetate (PubChem CID 2616661) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is [2-(4-ethoxyanilino)-2-oxoethyl] 2-phenylsulfanylacetate.

Molecular Properties

Compound Name[2-(4-ethoxyanilino)-2-oxoethyl] 2-phenylsulfanylacetate
PubChem CID2616661
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC Name[2-(4-ethoxyanilino)-2-oxoethyl] 2-phenylsulfanylacetate
SMILESCCOc1ccc(NC(=O)COC(=O)CSc2ccccc2)cc1
InChIInChI=1S/C18H19NO4S/c1-2-22-15-10-8-14(9-11-15)19-17(20)12-23-18(21)13-24-16-6-4-3-5-7-16/h3-11H,2,12-13H2,1H3,(H,19,20)
InChIKeyYSOYJWJUDKOYIO-UHFFFAOYSA-N
XLogP3.36
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3,5-dimethylanilino)-2-oxoethyl] 2-phenylsulfanylacetate
CID 7995999
ethyl 2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylacetate
CID 19318458
N-(4-ethoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 60864053
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 9272649
N-(4-ethoxyphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19316374
N-[3-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide
CID 18905949
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-nitrophenyl)acetate
CID 7833036
[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-(4-ethoxyphenyl)sulfanylacetate
CID 8565053
[2-(4-acetylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7606394
2-(3-chlorophenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 2949616
[2-(3-methylsulfonylanilino)-2-oxoethyl] 2-phenylsulfanylacetate
CID 8947661
ethyl 4-[[2-(3-phenylsulfanylpropanoyloxy)acetyl]amino]benzoate
CID 8853703

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyanilino)-2-oxoethyl] 2-phenylsulfanylacetate?
The IUPAC name of [2-(4-ethoxyanilino)-2-oxoethyl] 2-phenylsulfanylacetate (CID 2616661) is [2-(4-ethoxyanilino)-2-oxoethyl] 2-phenylsulfanylacetate.
What is the SMILES notation for [2-(4-ethoxyanilino)-2-oxoethyl] 2-phenylsulfanylacetate?
The canonical SMILES for [2-(4-ethoxyanilino)-2-oxoethyl] 2-phenylsulfanylacetate is CCOc1ccc(NC(=O)COC(=O)CSc2ccccc2)cc1.
What is the InChIKey of [2-(4-ethoxyanilino)-2-oxoethyl] 2-phenylsulfanylacetate?
The InChIKey is YSOYJWJUDKOYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4S/c1-2-22-15-10-8-14(9-11-15)19-17(20)12-23-18(21)13-24-16-6-4-3-5-7-16/h3-11H,2,12-13H2,1H3,(H,19,20).
What are the key properties of [2-(4-ethoxyanilino)-2-oxoethyl] 2-phenylsulfanylacetate?
[2-(4-ethoxyanilino)-2-oxoethyl] 2-phenylsulfanylacetate has a molecular weight of 345.42 g/mol, XLogP of 3.36, 8 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-phenylsulfanylacetate is sourced from PubChem (CID 2616661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).