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

C18H20N2O5S — CID 2338780

IUPAC(2-anilino-2-oxoethyl) 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H20N2O5S/c1-14-8-10-16(11-9-14)26(23,24)20(2)12-18(22)25-13-17(21)19-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,19,21)
InChIKeyWDARMYZOFVWJSH-UHFFFAOYSA-N
MW376.43 g/mol
LogP1.80
Rot. Bonds7

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

(2-anilino-2-oxoethyl) 2-[methyl-(4-methylphenyl)sulfonylamino]acetate (PubChem CID 2338780) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 2-[methyl-(4-methylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
PubChem CID2338780
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Name(2-anilino-2-oxoethyl) 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H20N2O5S/c1-14-8-10-16(11-9-14)26(23,24)20(2)12-18(22)25-13-17(21)19-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,19,21)
InChIKeyWDARMYZOFVWJSH-UHFFFAOYSA-N
XLogP1.80
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 2-[methyl-(4-methylphenyl)sulfonylamino]acetate?
The IUPAC name of (2-anilino-2-oxoethyl) 2-[methyl-(4-methylphenyl)sulfonylamino]acetate (CID 2338780) is (2-anilino-2-oxoethyl) 2-[methyl-(4-methylphenyl)sulfonylamino]acetate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 2-[methyl-(4-methylphenyl)sulfonylamino]acetate?
The canonical SMILES for (2-anilino-2-oxoethyl) 2-[methyl-(4-methylphenyl)sulfonylamino]acetate is Cc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)Nc2ccccc2)cc1.
What is the InChIKey of (2-anilino-2-oxoethyl) 2-[methyl-(4-methylphenyl)sulfonylamino]acetate?
The InChIKey is WDARMYZOFVWJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-14-8-10-16(11-9-14)26(23,24)20(2)12-18(22)25-13-17(21)19-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,19,21).
What are the key properties of (2-anilino-2-oxoethyl) 2-[methyl-(4-methylphenyl)sulfonylamino]acetate?
(2-anilino-2-oxoethyl) 2-[methyl-(4-methylphenyl)sulfonylamino]acetate has a molecular weight of 376.43 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 2-[methyl-(4-methylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 2338780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).