2-[2-[(4-acetamidophenyl)sulfonylamino]ethoxy]acetic acid

C12H16N2O6S — CID 79469314

IUPAC2-[2-[(4-acetamidophenyl)sulfonylamino]ethoxy]acetic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCOCC(=O)O)cc1
InChIInChI=1S/C12H16N2O6S/c1-9(15)14-10-2-4-11(5-3-10)21(18,19)13-6-7-20-8-12(16)17/h2-5,13H,6-8H2,1H3,(H,14,15)(H,16,17)
InChIKeyKBEKVCZBYIKNKO-UHFFFAOYSA-N
MW316.34 g/mol
LogP0.02
Rot. Bonds8

About 2-[2-[(4-acetamidophenyl)sulfonylamino]ethoxy]acetic acid

2-[2-[(4-acetamidophenyl)sulfonylamino]ethoxy]acetic acid (PubChem CID 79469314) has the molecular formula C12H16N2O6S and a molecular weight of 316.34 g/mol. Its IUPAC name is 2-[2-[(4-acetamidophenyl)sulfonylamino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-acetamidophenyl)sulfonylamino]ethoxy]acetic acid
PubChem CID79469314
Molecular FormulaC12H16N2O6S
Molecular Weight316.34 g/mol
Exact Mass316.07
IUPAC Name2-[2-[(4-acetamidophenyl)sulfonylamino]ethoxy]acetic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCOCC(=O)O)cc1
InChIInChI=1S/C12H16N2O6S/c1-9(15)14-10-2-4-11(5-3-10)21(18,19)13-6-7-20-8-12(16)17/h2-5,13H,6-8H2,1H3,(H,14,15)(H,16,17)
InChIKeyKBEKVCZBYIKNKO-UHFFFAOYSA-N
XLogP0.02
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(4-fluorophenyl)sulfonylamino]ethoxy]acetic acid
CID 79457001
2-[2-[4-(ethylsulfamoyl)anilino]ethoxy]acetic acid
CID 79457379
2-[2-[(3,4-dimethylphenyl)sulfonylamino]ethoxy]acetic acid
CID 79457362
N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-2-(2-methoxyethoxy)acetamide
CID 108574823
N-[4-(3-propoxypropylsulfamoyl)phenyl]acetamide
CID 3728268
N-[4-[2-(4-methylphenoxy)ethylsulfamoyl]phenyl]acetamide
CID 2604521
2-[2-[[4-(methylamino)phenyl]sulfonylamino]ethoxy]acetamide
CID 106240991
2-[2-[(3-methylphenyl)sulfonylamino]ethoxy]acetic acid
CID 79456829
2-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]ethoxy]acetic acid
CID 79456556
N-[4-[3-(methylamino)propylsulfamoyl]phenyl]acetamide
CID 43602837
2-[2-[[4-(propylamino)phenyl]sulfonylamino]ethoxy]acetamide
CID 106240983
4-[(4-acetamidophenyl)sulfonylamino]butanoate
CID 2385404

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-acetamidophenyl)sulfonylamino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(4-acetamidophenyl)sulfonylamino]ethoxy]acetic acid (CID 79469314) is 2-[2-[(4-acetamidophenyl)sulfonylamino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(4-acetamidophenyl)sulfonylamino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(4-acetamidophenyl)sulfonylamino]ethoxy]acetic acid is CC(=O)Nc1ccc(S(=O)(=O)NCCOCC(=O)O)cc1.
What is the InChIKey of 2-[2-[(4-acetamidophenyl)sulfonylamino]ethoxy]acetic acid?
The InChIKey is KBEKVCZBYIKNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O6S/c1-9(15)14-10-2-4-11(5-3-10)21(18,19)13-6-7-20-8-12(16)17/h2-5,13H,6-8H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[2-[(4-acetamidophenyl)sulfonylamino]ethoxy]acetic acid?
2-[2-[(4-acetamidophenyl)sulfonylamino]ethoxy]acetic acid has a molecular weight of 316.34 g/mol, XLogP of 0.02, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-acetamidophenyl)sulfonylamino]ethoxy]acetic acid is sourced from PubChem (CID 79469314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).