2-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]ethoxy]acetic acid

C12H17NO6S — CID 79456556

IUPAC2-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]ethoxy]acetic acid
SMILESCOc1ccc(S(=O)(=O)NCCOCC(=O)O)cc1C
InChIInChI=1S/C12H17NO6S/c1-9-7-10(3-4-11(9)18-2)20(16,17)13-5-6-19-8-12(14)15/h3-4,7,13H,5-6,8H2,1-2H3,(H,14,15)
InChIKeyPZZSVLIVDGULKF-UHFFFAOYSA-N
MW303.34 g/mol
LogP0.38
Rot. Bonds8

About 2-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]ethoxy]acetic acid

2-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]ethoxy]acetic acid (PubChem CID 79456556) has the molecular formula C12H17NO6S and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]ethoxy]acetic acid
PubChem CID79456556
Molecular FormulaC12H17NO6S
Molecular Weight303.34 g/mol
Exact Mass303.08
IUPAC Name2-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]ethoxy]acetic acid
SMILESCOc1ccc(S(=O)(=O)NCCOCC(=O)O)cc1C
InChIInChI=1S/C12H17NO6S/c1-9-7-10(3-4-11(9)18-2)20(16,17)13-5-6-19-8-12(14)15/h3-4,7,13H,5-6,8H2,1-2H3,(H,14,15)
InChIKeyPZZSVLIVDGULKF-UHFFFAOYSA-N
XLogP0.38
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]ethoxy]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

Related Compounds

2-[2-[(3,4-dimethylphenyl)sulfonylamino]ethoxy]acetic acid
CID 79457362
2-[2-[(3-methylphenyl)sulfonylamino]ethoxy]acetic acid
CID 79456829
4-methoxy-3-methyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzenesulfonamide
CID 113101166
3-bromo-4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
CID 115698727
2-[2-[(4-fluorophenyl)sulfonylamino]ethoxy]acetic acid
CID 79457001
2-[2-[(4-acetamidophenyl)sulfonylamino]ethoxy]acetic acid
CID 79469314
N-[2-(ethylamino)ethyl]-4-methoxy-3-methylbenzenesulfonamide;hydrochloride
CID 119973818
2-[[(4-methoxy-3-methylphenyl)sulfonylamino]methyl]butanoic acid
CID 65222500
N-[2-(2-ethylphenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113099923
5-[[(4-methoxy-3-methylphenyl)sulfonylamino]methyl]benzene-1,3-dicarboxylic acid
CID 23517612
4-methoxy-3-methyl-N-[2-(4-methylphenyl)sulfanylethyl]benzenesulfonamide
CID 2198100
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-methylbenzenesulfonamide
CID 848320

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]ethoxy]acetic acid (CID 79456556) is 2-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]ethoxy]acetic acid is COc1ccc(S(=O)(=O)NCCOCC(=O)O)cc1C.
What is the InChIKey of 2-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]ethoxy]acetic acid?
The InChIKey is PZZSVLIVDGULKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO6S/c1-9-7-10(3-4-11(9)18-2)20(16,17)13-5-6-19-8-12(14)15/h3-4,7,13H,5-6,8H2,1-2H3,(H,14,15).
What are the key properties of 2-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]ethoxy]acetic acid?
2-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]ethoxy]acetic acid has a molecular weight of 303.34 g/mol, XLogP of 0.38, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]ethoxy]acetic acid is sourced from PubChem (CID 79456556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).