[2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate

C18H18ClNO4S — CID 2091212

IUPAC[2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate
SMILESCCOc1ccccc1NC(=O)COC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C18H18ClNO4S/c1-2-23-16-6-4-3-5-15(16)20-17(21)11-24-18(22)12-25-14-9-7-13(19)8-10-14/h3-10H,2,11-12H2,1H3,(H,20,21)
InChIKeyYOBIMDSFYAPGIR-UHFFFAOYSA-N
MW379.87 g/mol
LogP4.01
Rot. Bonds8

About [2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate

[2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate (PubChem CID 2091212) has the molecular formula C18H18ClNO4S and a molecular weight of 379.87 g/mol. Its IUPAC name is [2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate.

Molecular Properties

Compound Name[2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate
PubChem CID2091212
Molecular FormulaC18H18ClNO4S
Molecular Weight379.87 g/mol
Exact Mass379.06
IUPAC Name[2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate
SMILESCCOc1ccccc1NC(=O)COC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C18H18ClNO4S/c1-2-23-16-6-4-3-5-15(16)20-17(21)11-24-18(22)12-25-14-9-7-13(19)8-10-14/h3-10H,2,11-12H2,1H3,(H,20,21)
InChIKeyYOBIMDSFYAPGIR-UHFFFAOYSA-N
XLogP4.01
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.87
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate?
The IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate (CID 2091212) is [2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate.
What is the SMILES notation for [2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate?
The canonical SMILES for [2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate is CCOc1ccccc1NC(=O)COC(=O)CSc1ccc(Cl)cc1.
What is the InChIKey of [2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate?
The InChIKey is YOBIMDSFYAPGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO4S/c1-2-23-16-6-4-3-5-15(16)20-17(21)11-24-18(22)12-25-14-9-7-13(19)8-10-14/h3-10H,2,11-12H2,1H3,(H,20,21).
What are the key properties of [2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate?
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate has a molecular weight of 379.87 g/mol, XLogP of 4.01, 8 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] 2-(4-chlorophenyl)sulfanylacetate is sourced from PubChem (CID 2091212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).