methyl 2-(2-phenylethylsulfamoyl)acetate

C11H15NO4S — CID 121221492

IUPACmethyl 2-(2-phenylethylsulfamoyl)acetate
SMILESCOC(=O)CS(=O)(=O)NCCc1ccccc1
InChIInChI=1S/C11H15NO4S/c1-16-11(13)9-17(14,15)12-8-7-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3
InChIKeyCOUHKFYCQYVTBD-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.32
Rot. Bonds6

About methyl 2-(2-phenylethylsulfamoyl)acetate

methyl 2-(2-phenylethylsulfamoyl)acetate (PubChem CID 121221492) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is methyl 2-(2-phenylethylsulfamoyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-phenylethylsulfamoyl)acetate
PubChem CID121221492
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Namemethyl 2-(2-phenylethylsulfamoyl)acetate
SMILESCOC(=O)CS(=O)(=O)NCCc1ccccc1
InChIInChI=1S/C11H15NO4S/c1-16-11(13)9-17(14,15)12-8-7-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3
InChIKeyCOUHKFYCQYVTBD-UHFFFAOYSA-N
XLogP0.32
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(benzylsulfamoyl)acetate
CID 130159397
methyl 3-(2-phenylethylsulfamoylamino)propanoate
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methyl 2-[2-(1H-benzimidazol-2-yl)ethylsulfamoyl]acetate
CID 61456840
methyl 3-[2-(2-phenylethoxy)ethylsulfamoyl]propanoate
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methyl 3-oxo-3-(2-phenylethylamino)propanoate
CID 15006667
(2S)-2-[(2-methoxy-2-oxoethyl)sulfonylamino]-3-phenylpropanoic acid
CID 61359341
N-[2-(4-methylphenyl)ethyl]-1-phenylmethanesulfonamide
CID 110787220
methyl 2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylsulfamoyl]acetate
CID 107487761
methyl 2-[(2-bromophenyl)methylsulfamoyl]acetate
CID 61414007
N-[2-(2-phenylethylsulfamoyl)ethyl]benzamide
CID 7423263
methyl 4-(2-pyridin-4-ylethylsulfamoyl)butanoate
CID 61460662
2-phenylethylcarbamothioic S-acid
CID 11116669

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-phenylethylsulfamoyl)acetate?
The IUPAC name of methyl 2-(2-phenylethylsulfamoyl)acetate (CID 121221492) is methyl 2-(2-phenylethylsulfamoyl)acetate.
What is the SMILES notation for methyl 2-(2-phenylethylsulfamoyl)acetate?
The canonical SMILES for methyl 2-(2-phenylethylsulfamoyl)acetate is COC(=O)CS(=O)(=O)NCCc1ccccc1.
What is the InChIKey of methyl 2-(2-phenylethylsulfamoyl)acetate?
The InChIKey is COUHKFYCQYVTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-16-11(13)9-17(14,15)12-8-7-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3.
What are the key properties of methyl 2-(2-phenylethylsulfamoyl)acetate?
methyl 2-(2-phenylethylsulfamoyl)acetate has a molecular weight of 257.31 g/mol, XLogP of 0.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-phenylethylsulfamoyl)acetate is sourced from PubChem (CID 121221492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).