2-[4-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]phenoxy]acetic acid

C19H21NO6S — CID 120537294

IUPAC2-[4-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]phenoxy]acetic acid
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)Nc2ccc(OCC(=O)O)cc2)cc1
InChIInChI=1S/C19H21NO6S/c1-13(2)27(24,25)17-9-3-14(4-10-17)11-18(21)20-15-5-7-16(8-6-15)26-12-19(22)23/h3-10,13H,11-12H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyMPVIMXXGCFIKAJ-UHFFFAOYSA-N
MW391.45 g/mol
LogP2.51
Rot. Bonds8

About 2-[4-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]phenoxy]acetic acid

2-[4-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]phenoxy]acetic acid (PubChem CID 120537294) has the molecular formula C19H21NO6S and a molecular weight of 391.45 g/mol. Its IUPAC name is 2-[4-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]phenoxy]acetic acid
PubChem CID120537294
Molecular FormulaC19H21NO6S
Molecular Weight391.45 g/mol
Exact Mass391.11
IUPAC Name2-[4-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]phenoxy]acetic acid
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)Nc2ccc(OCC(=O)O)cc2)cc1
InChIInChI=1S/C19H21NO6S/c1-13(2)27(24,25)17-9-3-14(4-10-17)11-18(21)20-15-5-7-16(8-6-15)26-12-19(22)23/h3-10,13H,11-12H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyMPVIMXXGCFIKAJ-UHFFFAOYSA-N
XLogP2.51
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-propan-2-ylsulfonylphenoxy)acetic acid
CID 82646763
3-[4-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]phenyl]propanoic acid
CID 120528412
N-(4-bromophenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 16838362
N-(4-acetylphenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 16838380
2-(3-methoxyphenyl)-N-(4-propan-2-ylsulfonylphenyl)acetamide
CID 110778748
2-(methylamino)-N-(4-propan-2-ylsulfonylphenyl)acetamide
CID 96678961
2-(4-propan-2-ylsulfonylphenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
CID 122309037
2-[4-(dimethylsulfamoyl)phenyl]-N-(4-ethoxyphenyl)acetamide
CID 110674552
2-(4-methoxyphenyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 2222071
N-(4-methoxyphenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 41139632
N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 122306723
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 122311682

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]phenoxy]acetic acid?
The IUPAC name of 2-[4-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]phenoxy]acetic acid (CID 120537294) is 2-[4-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]phenoxy]acetic acid is CC(C)S(=O)(=O)c1ccc(CC(=O)Nc2ccc(OCC(=O)O)cc2)cc1.
What is the InChIKey of 2-[4-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]phenoxy]acetic acid?
The InChIKey is MPVIMXXGCFIKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO6S/c1-13(2)27(24,25)17-9-3-14(4-10-17)11-18(21)20-15-5-7-16(8-6-15)26-12-19(22)23/h3-10,13H,11-12H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 2-[4-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]phenoxy]acetic acid?
2-[4-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]phenoxy]acetic acid has a molecular weight of 391.45 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]phenoxy]acetic acid is sourced from PubChem (CID 120537294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).