2-[2-[2-(benzenesulfonamido)-4-(2-methoxyethylcarbamoyl)phenoxy]phenyl]acetic acid

C24H24N2O7S — CID 69076493

IUPAC2-[2-[2-(benzenesulfonamido)-4-(2-methoxyethylcarbamoyl)phenoxy]phenyl]acetic acid
SMILESCOCCNC(=O)c1ccc(Oc2ccccc2CC(=O)O)c(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C24H24N2O7S/c1-32-14-13-25-24(29)18-11-12-22(33-21-10-6-5-7-17(21)16-23(27)28)20(15-18)26-34(30,31)19-8-3-2-4-9-19/h2-12,15,26H,13-14,16H2,1H3,(H,25,29)(H,27,28)
InChIKeyPPQHJJNHKJGSAU-UHFFFAOYSA-N
MW484.53 g/mol
LogP3.28
Rot. Bonds11

About 2-[2-[2-(benzenesulfonamido)-4-(2-methoxyethylcarbamoyl)phenoxy]phenyl]acetic acid

2-[2-[2-(benzenesulfonamido)-4-(2-methoxyethylcarbamoyl)phenoxy]phenyl]acetic acid (PubChem CID 69076493) has the molecular formula C24H24N2O7S and a molecular weight of 484.53 g/mol. Its IUPAC name is 2-[2-[2-(benzenesulfonamido)-4-(2-methoxyethylcarbamoyl)phenoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(benzenesulfonamido)-4-(2-methoxyethylcarbamoyl)phenoxy]phenyl]acetic acid
PubChem CID69076493
Molecular FormulaC24H24N2O7S
Molecular Weight484.53 g/mol
Exact Mass484.13
IUPAC Name2-[2-[2-(benzenesulfonamido)-4-(2-methoxyethylcarbamoyl)phenoxy]phenyl]acetic acid
SMILESCOCCNC(=O)c1ccc(Oc2ccccc2CC(=O)O)c(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C24H24N2O7S/c1-32-14-13-25-24(29)18-11-12-22(33-21-10-6-5-7-17(21)16-23(27)28)20(15-18)26-34(30,31)19-8-3-2-4-9-19/h2-12,15,26H,13-14,16H2,1H3,(H,25,29)(H,27,28)
InChIKeyPPQHJJNHKJGSAU-UHFFFAOYSA-N
XLogP3.28
TPSA131.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.53
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[2-[2-(benzenesulfonamido)-4-(2-methoxyethylcarbamoyl)phenoxy]phenyl]acetic acid?
The IUPAC name of 2-[2-[2-(benzenesulfonamido)-4-(2-methoxyethylcarbamoyl)phenoxy]phenyl]acetic acid (CID 69076493) is 2-[2-[2-(benzenesulfonamido)-4-(2-methoxyethylcarbamoyl)phenoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[2-(benzenesulfonamido)-4-(2-methoxyethylcarbamoyl)phenoxy]phenyl]acetic acid?
The canonical SMILES for 2-[2-[2-(benzenesulfonamido)-4-(2-methoxyethylcarbamoyl)phenoxy]phenyl]acetic acid is COCCNC(=O)c1ccc(Oc2ccccc2CC(=O)O)c(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-[2-[2-(benzenesulfonamido)-4-(2-methoxyethylcarbamoyl)phenoxy]phenyl]acetic acid?
The InChIKey is PPQHJJNHKJGSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O7S/c1-32-14-13-25-24(29)18-11-12-22(33-21-10-6-5-7-17(21)16-23(27)28)20(15-18)26-34(30,31)19-8-3-2-4-9-19/h2-12,15,26H,13-14,16H2,1H3,(H,25,29)(H,27,28).
What are the key properties of 2-[2-[2-(benzenesulfonamido)-4-(2-methoxyethylcarbamoyl)phenoxy]phenyl]acetic acid?
2-[2-[2-(benzenesulfonamido)-4-(2-methoxyethylcarbamoyl)phenoxy]phenyl]acetic acid has a molecular weight of 484.53 g/mol, XLogP of 3.28, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(benzenesulfonamido)-4-(2-methoxyethylcarbamoyl)phenoxy]phenyl]acetic acid is sourced from PubChem (CID 69076493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).