[2-(2-ethoxyanilino)-2-oxoethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate

C20H24N2O6S — CID 2338807

IUPAC[2-(2-ethoxyanilino)-2-oxoethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
SMILESCCOc1ccccc1NC(=O)COC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H24N2O6S/c1-4-27-18-8-6-5-7-17(18)21-19(23)14-28-20(24)13-22(3)29(25,26)16-11-9-15(2)10-12-16/h5-12H,4,13-14H2,1-3H3,(H,21,23)
InChIKeyDMOWQTPYHIYYDH-UHFFFAOYSA-N
MW420.49 g/mol
LogP2.20
Rot. Bonds9

About [2-(2-ethoxyanilino)-2-oxoethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate

[2-(2-ethoxyanilino)-2-oxoethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate (PubChem CID 2338807) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is [2-(2-ethoxyanilino)-2-oxoethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-(2-ethoxyanilino)-2-oxoethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
PubChem CID2338807
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC Name[2-(2-ethoxyanilino)-2-oxoethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
SMILESCCOc1ccccc1NC(=O)COC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H24N2O6S/c1-4-27-18-8-6-5-7-17(18)21-19(23)14-28-20(24)13-22(3)29(25,26)16-11-9-15(2)10-12-16/h5-12H,4,13-14H2,1-3H3,(H,21,23)
InChIKeyDMOWQTPYHIYYDH-UHFFFAOYSA-N
XLogP2.20
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate?
The IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate (CID 2338807) is [2-(2-ethoxyanilino)-2-oxoethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-(2-ethoxyanilino)-2-oxoethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate?
The canonical SMILES for [2-(2-ethoxyanilino)-2-oxoethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate is CCOc1ccccc1NC(=O)COC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of [2-(2-ethoxyanilino)-2-oxoethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate?
The InChIKey is DMOWQTPYHIYYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-4-27-18-8-6-5-7-17(18)21-19(23)14-28-20(24)13-22(3)29(25,26)16-11-9-15(2)10-12-16/h5-12H,4,13-14H2,1-3H3,(H,21,23).
What are the key properties of [2-(2-ethoxyanilino)-2-oxoethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate?
[2-(2-ethoxyanilino)-2-oxoethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate has a molecular weight of 420.49 g/mol, XLogP of 2.20, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxyanilino)-2-oxoethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 2338807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).