2-hydroxy-2-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfamoylmethyl]phenyl]propanoic acid

C22H27NO9S — CID 69131555

IUPAC2-hydroxy-2-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfamoylmethyl]phenyl]propanoic acid
SMILESCOc1cc(OC)c(/C=C/NS(=O)(=O)Cc2ccc(OC)c(C(C)(O)C(=O)O)c2)c(OC)c1
InChIInChI=1S/C22H27NO9S/c1-22(26,21(24)25)17-10-14(6-7-18(17)30-3)13-33(27,28)23-9-8-16-19(31-4)11-15(29-2)12-20(16)32-5/h6-12,23,26H,13H2,1-5H3,(H,24,25)/b9-8+
InChIKeyCSTCGIPERVSYEI-CMDGGOBGSA-N
MW481.52 g/mol
LogP2.10
Rot. Bonds11

About 2-hydroxy-2-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfamoylmethyl]phenyl]propanoic acid

2-hydroxy-2-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfamoylmethyl]phenyl]propanoic acid (PubChem CID 69131555) has the molecular formula C22H27NO9S and a molecular weight of 481.52 g/mol. Its IUPAC name is 2-hydroxy-2-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfamoylmethyl]phenyl]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfamoylmethyl]phenyl]propanoic acid
PubChem CID69131555
Molecular FormulaC22H27NO9S
Molecular Weight481.52 g/mol
Exact Mass481.14
IUPAC Name2-hydroxy-2-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfamoylmethyl]phenyl]propanoic acid
SMILESCOc1cc(OC)c(/C=C/NS(=O)(=O)Cc2ccc(OC)c(C(C)(O)C(=O)O)c2)c(OC)c1
InChIInChI=1S/C22H27NO9S/c1-22(26,21(24)25)17-10-14(6-7-18(17)30-3)13-33(27,28)23-9-8-16-19(31-4)11-15(29-2)12-20(16)32-5/h6-12,23,26H,13H2,1-5H3,(H,24,25)/b9-8+
InChIKeyCSTCGIPERVSYEI-CMDGGOBGSA-N
XLogP2.10
TPSA140.62 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.52
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-hydroxy-2-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfamoylmethyl]phenyl]propanoic acid with MolForge

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Related Compounds

2-hydroxy-2-[2-methoxy-5-[3-(2,4,6-trimethoxyphenyl)prop-2-enoylamino]phenyl]propanoic acid
CID 67103062
2-hydroxy-2-[2-methoxy-5-[[(E)-3-(2,4,6-trimethoxyphenyl)prop-2-enoyl]amino]phenyl]propanoic acid
CID 87270050
diethyl [2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfamoylmethyl]phenyl] phosphate
CID 69131035
2-hydroxy-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]-2-methylpropanamide
CID 10345049
2-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]anilino]acetic acid
CID 6918736
methyl N-[2-methoxy-5-[[(Z)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]carbamate
CID 142801174
sodium;hydride;2-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]anilino]acetic acid
CID 173010380
[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]sulfonyl-methylcarbamic acid
CID 87201914
2-hydroxy-2-(2-methoxy-5-propan-2-ylphenyl)propanoic acid
CID 82117037
2-hydroxy-3-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfinylmethyl]phenyl]-2-methylpropanoic acid
CID 150415614
2-acetyloxy-2-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]acetic acid
CID 87269973
methyl N-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylmethyl]phenyl]-N-methylcarbamate
CID 171137401

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfamoylmethyl]phenyl]propanoic acid?
The IUPAC name of 2-hydroxy-2-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfamoylmethyl]phenyl]propanoic acid (CID 69131555) is 2-hydroxy-2-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfamoylmethyl]phenyl]propanoic acid.
What is the SMILES notation for 2-hydroxy-2-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfamoylmethyl]phenyl]propanoic acid?
The canonical SMILES for 2-hydroxy-2-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfamoylmethyl]phenyl]propanoic acid is COc1cc(OC)c(/C=C/NS(=O)(=O)Cc2ccc(OC)c(C(C)(O)C(=O)O)c2)c(OC)c1.
What is the InChIKey of 2-hydroxy-2-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfamoylmethyl]phenyl]propanoic acid?
The InChIKey is CSTCGIPERVSYEI-CMDGGOBGSA-N. The full InChI is InChI=1S/C22H27NO9S/c1-22(26,21(24)25)17-10-14(6-7-18(17)30-3)13-33(27,28)23-9-8-16-19(31-4)11-15(29-2)12-20(16)32-5/h6-12,23,26H,13H2,1-5H3,(H,24,25)/b9-8+.
What are the key properties of 2-hydroxy-2-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfamoylmethyl]phenyl]propanoic acid?
2-hydroxy-2-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfamoylmethyl]phenyl]propanoic acid has a molecular weight of 481.52 g/mol, XLogP of 2.10, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfamoylmethyl]phenyl]propanoic acid is sourced from PubChem (CID 69131555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).