2-[3-[4-(4-imidazol-1-ylphenoxy)phenyl]sulfonyl-5-propoxyphenyl]acetic acid

C26H24N2O6S — CID 59820490

IUPAC2-[3-[4-(4-imidazol-1-ylphenoxy)phenyl]sulfonyl-5-propoxyphenyl]acetic acid
SMILESCCCOc1cc(CC(=O)O)cc(S(=O)(=O)c2ccc(Oc3ccc(-n4ccnc4)cc3)cc2)c1
InChIInChI=1S/C26H24N2O6S/c1-2-13-33-23-14-19(16-26(29)30)15-25(17-23)35(31,32)24-9-7-22(8-10-24)34-21-5-3-20(4-6-21)28-12-11-27-18-28/h3-12,14-15,17-18H,2,13,16H2,1H3,(H,29,30)
InChIKeyZHWPDDLYGKXCEM-UHFFFAOYSA-N
MW492.55 g/mol
LogP4.91
Rot. Bonds10

About 2-[3-[4-(4-imidazol-1-ylphenoxy)phenyl]sulfonyl-5-propoxyphenyl]acetic acid

2-[3-[4-(4-imidazol-1-ylphenoxy)phenyl]sulfonyl-5-propoxyphenyl]acetic acid (PubChem CID 59820490) has the molecular formula C26H24N2O6S and a molecular weight of 492.55 g/mol. Its IUPAC name is 2-[3-[4-(4-imidazol-1-ylphenoxy)phenyl]sulfonyl-5-propoxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[4-(4-imidazol-1-ylphenoxy)phenyl]sulfonyl-5-propoxyphenyl]acetic acid
PubChem CID59820490
Molecular FormulaC26H24N2O6S
Molecular Weight492.55 g/mol
Exact Mass492.14
IUPAC Name2-[3-[4-(4-imidazol-1-ylphenoxy)phenyl]sulfonyl-5-propoxyphenyl]acetic acid
SMILESCCCOc1cc(CC(=O)O)cc(S(=O)(=O)c2ccc(Oc3ccc(-n4ccnc4)cc3)cc2)c1
InChIInChI=1S/C26H24N2O6S/c1-2-13-33-23-14-19(16-26(29)30)15-25(17-23)35(31,32)24-9-7-22(8-10-24)34-21-5-3-20(4-6-21)28-12-11-27-18-28/h3-12,14-15,17-18H,2,13,16H2,1H3,(H,29,30)
InChIKeyZHWPDDLYGKXCEM-UHFFFAOYSA-N
XLogP4.91
TPSA107.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.55
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-[4-[(3-methyl-2-pyridinyl)oxy]phenyl]sulfonyl-5-propoxyphenyl]acetic acid
CID 59820376
2-[3-ethoxy-5-[4-[(6-methyl-2-pyridinyl)oxy]phenyl]sulfonylphenyl]acetic acid
CID 59820503
2-(4-imidazol-1-ylphenyl)acetic acid;hydrochloride
CID 122163959
methyl 2-[3-(4-fluorophenyl)sulfonyl-5-propoxyphenyl]acetate
CID 59820441
4-(4-imidazol-1-ylphenoxy)pyridine-2-carboxylic acid
CID 67405266
(4-imidazol-1-ylphenyl) acetate
CID 594823
1-(4-ethoxyphenyl)imidazole;nitric acid
CID 24839007
2-(4-imidazol-1-ylphenoxy)ethyl N,N-dimethylsulfamate
CID 54128900
4-(4-imidazol-1-ylphenoxy)butan-1-ol
CID 91307784
(2R)-N-hydroxy-2-[[4-(4-imidazol-1-ylphenoxy)phenyl]sulfonyl-methylamino]-3-methylbutanamide
CID 20683083
2-[3-propoxy-5-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfanylphenyl]acetic acid
CID 143425273
N-[4-(4-imidazol-1-ylphenoxy)butyl]-1-phenylmethanesulfonamide
CID 57242122

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(4-imidazol-1-ylphenoxy)phenyl]sulfonyl-5-propoxyphenyl]acetic acid?
The IUPAC name of 2-[3-[4-(4-imidazol-1-ylphenoxy)phenyl]sulfonyl-5-propoxyphenyl]acetic acid (CID 59820490) is 2-[3-[4-(4-imidazol-1-ylphenoxy)phenyl]sulfonyl-5-propoxyphenyl]acetic acid.
What is the SMILES notation for 2-[3-[4-(4-imidazol-1-ylphenoxy)phenyl]sulfonyl-5-propoxyphenyl]acetic acid?
The canonical SMILES for 2-[3-[4-(4-imidazol-1-ylphenoxy)phenyl]sulfonyl-5-propoxyphenyl]acetic acid is CCCOc1cc(CC(=O)O)cc(S(=O)(=O)c2ccc(Oc3ccc(-n4ccnc4)cc3)cc2)c1.
What is the InChIKey of 2-[3-[4-(4-imidazol-1-ylphenoxy)phenyl]sulfonyl-5-propoxyphenyl]acetic acid?
The InChIKey is ZHWPDDLYGKXCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O6S/c1-2-13-33-23-14-19(16-26(29)30)15-25(17-23)35(31,32)24-9-7-22(8-10-24)34-21-5-3-20(4-6-21)28-12-11-27-18-28/h3-12,14-15,17-18H,2,13,16H2,1H3,(H,29,30).
What are the key properties of 2-[3-[4-(4-imidazol-1-ylphenoxy)phenyl]sulfonyl-5-propoxyphenyl]acetic acid?
2-[3-[4-(4-imidazol-1-ylphenoxy)phenyl]sulfonyl-5-propoxyphenyl]acetic acid has a molecular weight of 492.55 g/mol, XLogP of 4.91, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(4-imidazol-1-ylphenoxy)phenyl]sulfonyl-5-propoxyphenyl]acetic acid is sourced from PubChem (CID 59820490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).