2-[4-hydroxy-N-(2-methylsulfonylethylcarbamoyl)anilino]acetic acid

C12H16N2O6S — CID 61204848

IUPAC2-[4-hydroxy-N-(2-methylsulfonylethylcarbamoyl)anilino]acetic acid
SMILESCS(=O)(=O)CCNC(=O)N(CC(=O)O)c1ccc(O)cc1
InChIInChI=1S/C12H16N2O6S/c1-21(19,20)7-6-13-12(18)14(8-11(16)17)9-2-4-10(15)5-3-9/h2-5,15H,6-8H2,1H3,(H,13,18)(H,16,17)
InChIKeyWYDMOQBNEKJKMW-UHFFFAOYSA-N
MW316.33 g/mol
LogP0.04
Rot. Bonds6

About 2-[4-hydroxy-N-(2-methylsulfonylethylcarbamoyl)anilino]acetic acid

2-[4-hydroxy-N-(2-methylsulfonylethylcarbamoyl)anilino]acetic acid (PubChem CID 61204848) has the molecular formula C12H16N2O6S and a molecular weight of 316.33 g/mol. Its IUPAC name is 2-[4-hydroxy-N-(2-methylsulfonylethylcarbamoyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[4-hydroxy-N-(2-methylsulfonylethylcarbamoyl)anilino]acetic acid
PubChem CID61204848
Molecular FormulaC12H16N2O6S
Molecular Weight316.33 g/mol
Exact Mass316.07
IUPAC Name2-[4-hydroxy-N-(2-methylsulfonylethylcarbamoyl)anilino]acetic acid
SMILESCS(=O)(=O)CCNC(=O)N(CC(=O)O)c1ccc(O)cc1
InChIInChI=1S/C12H16N2O6S/c1-21(19,20)7-6-13-12(18)14(8-11(16)17)9-2-4-10(15)5-3-9/h2-5,15H,6-8H2,1H3,(H,13,18)(H,16,17)
InChIKeyWYDMOQBNEKJKMW-UHFFFAOYSA-N
XLogP0.04
TPSA124.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[4-hydroxy-N-(2-methylsulfonylethylcarbamoyl)anilino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-N-(2-methylsulfonylethylcarbamoyl)anilino]acetic acid?
The IUPAC name of 2-[4-hydroxy-N-(2-methylsulfonylethylcarbamoyl)anilino]acetic acid (CID 61204848) is 2-[4-hydroxy-N-(2-methylsulfonylethylcarbamoyl)anilino]acetic acid.
What is the SMILES notation for 2-[4-hydroxy-N-(2-methylsulfonylethylcarbamoyl)anilino]acetic acid?
The canonical SMILES for 2-[4-hydroxy-N-(2-methylsulfonylethylcarbamoyl)anilino]acetic acid is CS(=O)(=O)CCNC(=O)N(CC(=O)O)c1ccc(O)cc1.
What is the InChIKey of 2-[4-hydroxy-N-(2-methylsulfonylethylcarbamoyl)anilino]acetic acid?
The InChIKey is WYDMOQBNEKJKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O6S/c1-21(19,20)7-6-13-12(18)14(8-11(16)17)9-2-4-10(15)5-3-9/h2-5,15H,6-8H2,1H3,(H,13,18)(H,16,17).
What are the key properties of 2-[4-hydroxy-N-(2-methylsulfonylethylcarbamoyl)anilino]acetic acid?
2-[4-hydroxy-N-(2-methylsulfonylethylcarbamoyl)anilino]acetic acid has a molecular weight of 316.33 g/mol, XLogP of 0.04, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-N-(2-methylsulfonylethylcarbamoyl)anilino]acetic acid is sourced from PubChem (CID 61204848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).