2-[3-[4-methyl-2-(1,3-thiazol-2-ylsulfonylmethyl)phenoxy]phenyl]acetic acid

C19H17NO5S2 — CID 70927543

IUPAC2-[3-[4-methyl-2-(1,3-thiazol-2-ylsulfonylmethyl)phenoxy]phenyl]acetic acid
SMILESCc1ccc(Oc2cccc(CC(=O)O)c2)c(CS(=O)(=O)c2nccs2)c1
InChIInChI=1S/C19H17NO5S2/c1-13-5-6-17(25-16-4-2-3-14(10-16)11-18(21)22)15(9-13)12-27(23,24)19-20-7-8-26-19/h2-10H,11-12H2,1H3,(H,21,22)
InChIKeyWUTNCJKACLUTTA-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.84
Rot. Bonds7

About 2-[3-[4-methyl-2-(1,3-thiazol-2-ylsulfonylmethyl)phenoxy]phenyl]acetic acid

2-[3-[4-methyl-2-(1,3-thiazol-2-ylsulfonylmethyl)phenoxy]phenyl]acetic acid (PubChem CID 70927543) has the molecular formula C19H17NO5S2 and a molecular weight of 403.48 g/mol. Its IUPAC name is 2-[3-[4-methyl-2-(1,3-thiazol-2-ylsulfonylmethyl)phenoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[4-methyl-2-(1,3-thiazol-2-ylsulfonylmethyl)phenoxy]phenyl]acetic acid
PubChem CID70927543
Molecular FormulaC19H17NO5S2
Molecular Weight403.48 g/mol
Exact Mass403.05
IUPAC Name2-[3-[4-methyl-2-(1,3-thiazol-2-ylsulfonylmethyl)phenoxy]phenyl]acetic acid
SMILESCc1ccc(Oc2cccc(CC(=O)O)c2)c(CS(=O)(=O)c2nccs2)c1
InChIInChI=1S/C19H17NO5S2/c1-13-5-6-17(25-16-4-2-3-14(10-16)11-18(21)22)15(9-13)12-27(23,24)19-20-7-8-26-19/h2-10H,11-12H2,1H3,(H,21,22)
InChIKeyWUTNCJKACLUTTA-UHFFFAOYSA-N
XLogP3.84
TPSA93.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(2-cyano-4-methylphenoxy)phenyl]acetic acid
CID 107931905
2-[3-[2-[2-(dimethylamino)ethylsulfonylmethyl]-4-hydroxyphenoxy]phenyl]acetic acid
CID 90915482
2-[3-[4-bromo-2-(2-phenylethylsulfonylmethyl)phenoxy]phenyl]acetic acid
CID 44610199
2-[3-[4-(1-methylisoquinolin-8-yl)oxy-2-(trifluoromethyl)phenoxy]phenyl]acetic acid
CID 135331037
2-[3-[[5-[(4-carbamoylphenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]oxy]phenyl]acetic acid
CID 11774841
2-[3-(3-methoxyphenoxy)phenyl]acetic acid
CID 19421788
2-[3-[4-methyl-2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]phenoxy]phenyl]acetic acid
CID 11154941
2-[3-[4-methyl-2-[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]phenoxy]phenyl]acetic acid
CID 70989644
2-[3-(5-fluoropyrimidin-2-yl)oxyphenyl]acetic acid
CID 104606526
CID 89107645
CID 89107645
2-[3-[4-bromo-2-(pyridin-2-ylsulfinylmethyl)phenoxy]phenyl]acetic acid
CID 44610508
2-(3-trimethylsilyloxyphenyl)acetic acid
CID 167737399

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-methyl-2-(1,3-thiazol-2-ylsulfonylmethyl)phenoxy]phenyl]acetic acid?
The IUPAC name of 2-[3-[4-methyl-2-(1,3-thiazol-2-ylsulfonylmethyl)phenoxy]phenyl]acetic acid (CID 70927543) is 2-[3-[4-methyl-2-(1,3-thiazol-2-ylsulfonylmethyl)phenoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[4-methyl-2-(1,3-thiazol-2-ylsulfonylmethyl)phenoxy]phenyl]acetic acid?
The canonical SMILES for 2-[3-[4-methyl-2-(1,3-thiazol-2-ylsulfonylmethyl)phenoxy]phenyl]acetic acid is Cc1ccc(Oc2cccc(CC(=O)O)c2)c(CS(=O)(=O)c2nccs2)c1.
What is the InChIKey of 2-[3-[4-methyl-2-(1,3-thiazol-2-ylsulfonylmethyl)phenoxy]phenyl]acetic acid?
The InChIKey is WUTNCJKACLUTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5S2/c1-13-5-6-17(25-16-4-2-3-14(10-16)11-18(21)22)15(9-13)12-27(23,24)19-20-7-8-26-19/h2-10H,11-12H2,1H3,(H,21,22).
What are the key properties of 2-[3-[4-methyl-2-(1,3-thiazol-2-ylsulfonylmethyl)phenoxy]phenyl]acetic acid?
2-[3-[4-methyl-2-(1,3-thiazol-2-ylsulfonylmethyl)phenoxy]phenyl]acetic acid has a molecular weight of 403.48 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-methyl-2-(1,3-thiazol-2-ylsulfonylmethyl)phenoxy]phenyl]acetic acid is sourced from PubChem (CID 70927543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).