2-[[4-(2-methoxyethylsulfamoyl)benzoyl]-methylamino]acetic acid

C13H18N2O6S — CID 119172393

IUPAC2-[[4-(2-methoxyethylsulfamoyl)benzoyl]-methylamino]acetic acid
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)N(C)CC(=O)O)cc1
InChIInChI=1S/C13H18N2O6S/c1-15(9-12(16)17)13(18)10-3-5-11(6-4-10)22(19,20)14-7-8-21-2/h3-6,14H,7-9H2,1-2H3,(H,16,17)
InChIKeyUJOXLDZTXOACHU-UHFFFAOYSA-N
MW330.36 g/mol
LogP-0.23
Rot. Bonds8

About 2-[[4-(2-methoxyethylsulfamoyl)benzoyl]-methylamino]acetic acid

2-[[4-(2-methoxyethylsulfamoyl)benzoyl]-methylamino]acetic acid (PubChem CID 119172393) has the molecular formula C13H18N2O6S and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-[[4-(2-methoxyethylsulfamoyl)benzoyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-(2-methoxyethylsulfamoyl)benzoyl]-methylamino]acetic acid
PubChem CID119172393
Molecular FormulaC13H18N2O6S
Molecular Weight330.36 g/mol
Exact Mass330.09
IUPAC Name2-[[4-(2-methoxyethylsulfamoyl)benzoyl]-methylamino]acetic acid
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)N(C)CC(=O)O)cc1
InChIInChI=1S/C13H18N2O6S/c1-15(9-12(16)17)13(18)10-3-5-11(6-4-10)22(19,20)14-7-8-21-2/h3-6,14H,7-9H2,1-2H3,(H,16,17)
InChIKeyUJOXLDZTXOACHU-UHFFFAOYSA-N
XLogP-0.23
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methoxyethylsulfamoyl)benzoyl]-methylamino]acetic acid?
The IUPAC name of 2-[[4-(2-methoxyethylsulfamoyl)benzoyl]-methylamino]acetic acid (CID 119172393) is 2-[[4-(2-methoxyethylsulfamoyl)benzoyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[4-(2-methoxyethylsulfamoyl)benzoyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[4-(2-methoxyethylsulfamoyl)benzoyl]-methylamino]acetic acid is COCCNS(=O)(=O)c1ccc(C(=O)N(C)CC(=O)O)cc1.
What is the InChIKey of 2-[[4-(2-methoxyethylsulfamoyl)benzoyl]-methylamino]acetic acid?
The InChIKey is UJOXLDZTXOACHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O6S/c1-15(9-12(16)17)13(18)10-3-5-11(6-4-10)22(19,20)14-7-8-21-2/h3-6,14H,7-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[[4-(2-methoxyethylsulfamoyl)benzoyl]-methylamino]acetic acid?
2-[[4-(2-methoxyethylsulfamoyl)benzoyl]-methylamino]acetic acid has a molecular weight of 330.36 g/mol, XLogP of -0.23, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methoxyethylsulfamoyl)benzoyl]-methylamino]acetic acid is sourced from PubChem (CID 119172393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).