2-[2-[2-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid

C25H27NO6S — CID 68689364

IUPAC2-[2-[2-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid
SMILESCC(C)c1ccc(S(=O)(=O)Nc2ccc(OCCOc3ccccc3CC(=O)O)cc2)cc1
InChIInChI=1S/C25H27NO6S/c1-18(2)19-7-13-23(14-8-19)33(29,30)26-21-9-11-22(12-10-21)31-15-16-32-24-6-4-3-5-20(24)17-25(27)28/h3-14,18,26H,15-17H2,1-2H3,(H,27,28)
InChIKeyLDOAQBSULOJXEY-UHFFFAOYSA-N
MW469.56 g/mol
LogP4.70
Rot. Bonds11

About 2-[2-[2-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid

2-[2-[2-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid (PubChem CID 68689364) has the molecular formula C25H27NO6S and a molecular weight of 469.56 g/mol. Its IUPAC name is 2-[2-[2-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid
PubChem CID68689364
Molecular FormulaC25H27NO6S
Molecular Weight469.56 g/mol
Exact Mass469.16
IUPAC Name2-[2-[2-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid
SMILESCC(C)c1ccc(S(=O)(=O)Nc2ccc(OCCOc3ccccc3CC(=O)O)cc2)cc1
InChIInChI=1S/C25H27NO6S/c1-18(2)19-7-13-23(14-8-19)33(29,30)26-21-9-11-22(12-10-21)31-15-16-32-24-6-4-3-5-20(24)17-25(27)28/h3-14,18,26H,15-17H2,1-2H3,(H,27,28)
InChIKeyLDOAQBSULOJXEY-UHFFFAOYSA-N
XLogP4.70
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-[2-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenoxy]ethoxy]phenyl]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-[2-[4-[(4-chlorophenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid
CID 68687829
2-[2-[2-[4-[(4-phenylphenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid
CID 11540637
2-[2-[2-[4-(naphthalen-2-ylsulfonylamino)phenoxy]ethoxy]phenyl]acetic acid
CID 11655897
[2-[2-[2-[4-[(4-chlorophenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetyl] 2-[2-[2-[4-[(4-acetamidophenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetate
CID 90904973
2-[2-[2-[4-[(2-methoxycarbonylphenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid;2-[2-[2-[4-[[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid
CID 158268185
N-[4-(2-methoxyethoxy)phenyl]benzenesulfonamide
CID 39874629
2-methyl-N-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]propanamide
CID 26965637
N-[[2-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methyl]ethanamine
CID 92927976
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-propan-2-ylphenyl)acetamide
CID 4238815
4-[(4-propan-2-ylphenyl)sulfonylamino]benzoic acid
CID 7574220
4-butoxy-N-phenylbenzenesulfonamide
CID 3597057
3-[2-[2-[4-[(2-fluorophenyl)sulfonylamino]phenoxy]ethoxy]phenyl]propanoic acid
CID 68690108

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid?
The IUPAC name of 2-[2-[2-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid (CID 68689364) is 2-[2-[2-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[2-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid?
The canonical SMILES for 2-[2-[2-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid is CC(C)c1ccc(S(=O)(=O)Nc2ccc(OCCOc3ccccc3CC(=O)O)cc2)cc1.
What is the InChIKey of 2-[2-[2-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid?
The InChIKey is LDOAQBSULOJXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO6S/c1-18(2)19-7-13-23(14-8-19)33(29,30)26-21-9-11-22(12-10-21)31-15-16-32-24-6-4-3-5-20(24)17-25(27)28/h3-14,18,26H,15-17H2,1-2H3,(H,27,28).
What are the key properties of 2-[2-[2-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid?
2-[2-[2-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid has a molecular weight of 469.56 g/mol, XLogP of 4.70, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid is sourced from PubChem (CID 68689364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).