[2-(methylcarbamoylamino)-2-oxoethyl] 2-methylsulfonylbenzoate

C12H14N2O6S — CID 7724769

IUPAC[2-(methylcarbamoylamino)-2-oxoethyl] 2-methylsulfonylbenzoate
SMILESCNC(=O)NC(=O)COC(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C12H14N2O6S/c1-13-12(17)14-10(15)7-20-11(16)8-5-3-4-6-9(8)21(2,18)19/h3-6H,7H2,1-2H3,(H2,13,14,15,17)
InChIKeyJDMWFUXNXXYQRG-UHFFFAOYSA-N
MW314.32 g/mol
LogP-0.30
Rot. Bonds4

About [2-(methylcarbamoylamino)-2-oxoethyl] 2-methylsulfonylbenzoate

[2-(methylcarbamoylamino)-2-oxoethyl] 2-methylsulfonylbenzoate (PubChem CID 7724769) has the molecular formula C12H14N2O6S and a molecular weight of 314.32 g/mol. Its IUPAC name is [2-(methylcarbamoylamino)-2-oxoethyl] 2-methylsulfonylbenzoate.

Molecular Properties

Compound Name[2-(methylcarbamoylamino)-2-oxoethyl] 2-methylsulfonylbenzoate
PubChem CID7724769
Molecular FormulaC12H14N2O6S
Molecular Weight314.32 g/mol
Exact Mass314.06
IUPAC Name[2-(methylcarbamoylamino)-2-oxoethyl] 2-methylsulfonylbenzoate
SMILESCNC(=O)NC(=O)COC(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C12H14N2O6S/c1-13-12(17)14-10(15)7-20-11(16)8-5-3-4-6-9(8)21(2,18)19/h3-6H,7H2,1-2H3,(H2,13,14,15,17)
InChIKeyJDMWFUXNXXYQRG-UHFFFAOYSA-N
XLogP-0.30
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(methylcarbamoylamino)-2-oxoethyl] 2-iodobenzoate
CID 2509553
[2-(cyclopropylamino)-2-oxoethyl] 2-methylsulfonylbenzoate
CID 7725286
[2-(2-methylpropylamino)-2-oxoethyl] 2-methylsulfonylbenzoate
CID 18080442
[2-(methylcarbamoylamino)-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate
CID 4833186
[2-oxo-2-(2-phenylethylamino)ethyl] 2-methylsulfonylbenzoate
CID 18080788
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(trifluoromethyl)benzoate
CID 2503502
[2-(3,5-difluoroanilino)-2-oxoethyl] 2-methylsulfonylbenzoate
CID 18127503
[2-(3-methylanilino)-2-oxoethyl] 2-methylsulfonylbenzoate
CID 7725213
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methylsulfonylbenzoate
CID 18080550
[2-oxo-2-(4-propylanilino)ethyl] 2-methylsulfonylbenzoate
CID 18127500
[2-(methylcarbamoylamino)-2-oxoethyl] 2-[(2,5-dichlorophenyl)sulfonylamino]benzoate
CID 2544450
[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-methylsulfonylbenzoate
CID 7724634

Frequently Asked Questions

What is the IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 2-methylsulfonylbenzoate?
The IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 2-methylsulfonylbenzoate (CID 7724769) is [2-(methylcarbamoylamino)-2-oxoethyl] 2-methylsulfonylbenzoate.
What is the SMILES notation for [2-(methylcarbamoylamino)-2-oxoethyl] 2-methylsulfonylbenzoate?
The canonical SMILES for [2-(methylcarbamoylamino)-2-oxoethyl] 2-methylsulfonylbenzoate is CNC(=O)NC(=O)COC(=O)c1ccccc1S(C)(=O)=O.
What is the InChIKey of [2-(methylcarbamoylamino)-2-oxoethyl] 2-methylsulfonylbenzoate?
The InChIKey is JDMWFUXNXXYQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O6S/c1-13-12(17)14-10(15)7-20-11(16)8-5-3-4-6-9(8)21(2,18)19/h3-6H,7H2,1-2H3,(H2,13,14,15,17).
What are the key properties of [2-(methylcarbamoylamino)-2-oxoethyl] 2-methylsulfonylbenzoate?
[2-(methylcarbamoylamino)-2-oxoethyl] 2-methylsulfonylbenzoate has a molecular weight of 314.32 g/mol, XLogP of -0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylcarbamoylamino)-2-oxoethyl] 2-methylsulfonylbenzoate is sourced from PubChem (CID 7724769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).