[2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] 2-benzamidoacetate

C19H20N2O6S — CID 7516811

IUPAC[2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] 2-benzamidoacetate
SMILESCN(c1ccc(C(=O)COC(=O)CNC(=O)c2ccccc2)cc1)S(C)(=O)=O
InChIInChI=1S/C19H20N2O6S/c1-21(28(2,25)26)16-10-8-14(9-11-16)17(22)13-27-18(23)12-20-19(24)15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,20,24)
InChIKeyXEWVEWVORNGWEA-UHFFFAOYSA-N
MW404.44 g/mol
LogP1.24
Rot. Bonds8

About [2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] 2-benzamidoacetate

[2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] 2-benzamidoacetate (PubChem CID 7516811) has the molecular formula C19H20N2O6S and a molecular weight of 404.44 g/mol. Its IUPAC name is [2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] 2-benzamidoacetate.

Molecular Properties

Compound Name[2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] 2-benzamidoacetate
PubChem CID7516811
Molecular FormulaC19H20N2O6S
Molecular Weight404.44 g/mol
Exact Mass404.10
IUPAC Name[2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] 2-benzamidoacetate
SMILESCN(c1ccc(C(=O)COC(=O)CNC(=O)c2ccccc2)cc1)S(C)(=O)=O
InChIInChI=1S/C19H20N2O6S/c1-21(28(2,25)26)16-10-8-14(9-11-16)17(22)13-27-18(23)12-20-19(24)15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,20,24)
InChIKeyXEWVEWVORNGWEA-UHFFFAOYSA-N
XLogP1.24
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(4-propylphenyl)ethyl] 2-benzamidoacetate
CID 7783022
[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] 2-benzamidoacetate
CID 7783025
[4-[2-(2-benzamidoacetyl)oxyacetyl]phenyl] benzoate
CID 2067592
phenacyl 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 7883743
(2-methoxy-2-oxoethyl) 2-benzamidoacetate
CID 24647854
N-[4-(hydrazinecarbonyl)phenyl]-N-methylmethanesulfonamide
CID 91671626
[2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] (2S)-2-phenylsulfanylpropanoate
CID 9458738
[2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] 2-(trifluoromethyl)benzoate
CID 7516886
[2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] cyclobutanecarboxylate
CID 7518089
phenacyl 2-[(3-methoxybenzoyl)amino]acetate
CID 2165686
[2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 9458334
[2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] 3-(furan-2-yl)propanoate
CID 9487434

Frequently Asked Questions

What is the IUPAC name of [2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] 2-benzamidoacetate?
The IUPAC name of [2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] 2-benzamidoacetate (CID 7516811) is [2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] 2-benzamidoacetate.
What is the SMILES notation for [2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] 2-benzamidoacetate?
The canonical SMILES for [2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] 2-benzamidoacetate is CN(c1ccc(C(=O)COC(=O)CNC(=O)c2ccccc2)cc1)S(C)(=O)=O.
What is the InChIKey of [2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] 2-benzamidoacetate?
The InChIKey is XEWVEWVORNGWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O6S/c1-21(28(2,25)26)16-10-8-14(9-11-16)17(22)13-27-18(23)12-20-19(24)15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,20,24).
What are the key properties of [2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] 2-benzamidoacetate?
[2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] 2-benzamidoacetate has a molecular weight of 404.44 g/mol, XLogP of 1.24, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] 2-benzamidoacetate is sourced from PubChem (CID 7516811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).