(2-amino-2-oxoethyl) 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate

C17H18N2O6S — CID 2110224

IUPAC(2-amino-2-oxoethyl) 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)OCC(N)=O)cc1
InChIInChI=1S/C17H18N2O6S/c1-19(14-5-3-4-6-15(14)24-2)26(22,23)13-9-7-12(8-10-13)17(21)25-11-16(18)20/h3-10H,11H2,1-2H3,(H2,18,20)
InChIKeyCOMXJGLVKUCCFS-UHFFFAOYSA-N
MW378.41 g/mol
LogP1.16
Rot. Bonds7

About (2-amino-2-oxoethyl) 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate

(2-amino-2-oxoethyl) 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate (PubChem CID 2110224) has the molecular formula C17H18N2O6S and a molecular weight of 378.41 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
PubChem CID2110224
Molecular FormulaC17H18N2O6S
Molecular Weight378.41 g/mol
Exact Mass378.09
IUPAC Name(2-amino-2-oxoethyl) 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)OCC(N)=O)cc1
InChIInChI=1S/C17H18N2O6S/c1-19(14-5-3-4-6-15(14)24-2)26(22,23)13-9-7-12(8-10-13)17(21)25-11-16(18)20/h3-10H,11H2,1-2H3,(H2,18,20)
InChIKeyCOMXJGLVKUCCFS-UHFFFAOYSA-N
XLogP1.16
TPSA116.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate?
The IUPAC name of (2-amino-2-oxoethyl) 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate (CID 2110224) is (2-amino-2-oxoethyl) 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate.
What is the SMILES notation for (2-amino-2-oxoethyl) 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate?
The canonical SMILES for (2-amino-2-oxoethyl) 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate is COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)OCC(N)=O)cc1.
What is the InChIKey of (2-amino-2-oxoethyl) 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate?
The InChIKey is COMXJGLVKUCCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O6S/c1-19(14-5-3-4-6-15(14)24-2)26(22,23)13-9-7-12(8-10-13)17(21)25-11-16(18)20/h3-10H,11H2,1-2H3,(H2,18,20).
What are the key properties of (2-amino-2-oxoethyl) 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate?
(2-amino-2-oxoethyl) 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate has a molecular weight of 378.41 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate is sourced from PubChem (CID 2110224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).