2-[3-[2-[[4-(ethylcarbamoyl)-2-methylphenyl]sulfonylamino]phenoxy]phenyl]acetic acid

C24H24N2O6S — CID 69488395

IUPAC2-[3-[2-[[4-(ethylcarbamoyl)-2-methylphenyl]sulfonylamino]phenoxy]phenyl]acetic acid
SMILESCCNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Oc2cccc(CC(=O)O)c2)c(C)c1
InChIInChI=1S/C24H24N2O6S/c1-3-25-24(29)18-11-12-22(16(2)13-18)33(30,31)26-20-9-4-5-10-21(20)32-19-8-6-7-17(14-19)15-23(27)28/h4-14,26H,3,15H2,1-2H3,(H,25,29)(H,27,28)
InChIKeyVENSFTMJXNYNJC-UHFFFAOYSA-N
MW468.53 g/mol
LogP3.96
Rot. Bonds9

About 2-[3-[2-[[4-(ethylcarbamoyl)-2-methylphenyl]sulfonylamino]phenoxy]phenyl]acetic acid

2-[3-[2-[[4-(ethylcarbamoyl)-2-methylphenyl]sulfonylamino]phenoxy]phenyl]acetic acid (PubChem CID 69488395) has the molecular formula C24H24N2O6S and a molecular weight of 468.53 g/mol. Its IUPAC name is 2-[3-[2-[[4-(ethylcarbamoyl)-2-methylphenyl]sulfonylamino]phenoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[2-[[4-(ethylcarbamoyl)-2-methylphenyl]sulfonylamino]phenoxy]phenyl]acetic acid
PubChem CID69488395
Molecular FormulaC24H24N2O6S
Molecular Weight468.53 g/mol
Exact Mass468.14
IUPAC Name2-[3-[2-[[4-(ethylcarbamoyl)-2-methylphenyl]sulfonylamino]phenoxy]phenyl]acetic acid
SMILESCCNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Oc2cccc(CC(=O)O)c2)c(C)c1
InChIInChI=1S/C24H24N2O6S/c1-3-25-24(29)18-11-12-22(16(2)13-18)33(30,31)26-20-9-4-5-10-21(20)32-19-8-6-7-17(14-19)15-23(27)28/h4-14,26H,3,15H2,1-2H3,(H,25,29)(H,27,28)
InChIKeyVENSFTMJXNYNJC-UHFFFAOYSA-N
XLogP3.96
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[4-(ethylcarbamoyl)-2-[(1-methylimidazol-4-yl)sulfonylamino]phenoxy]phenyl]acetic acid
CID 59644700
2-[[4-[(2-phenoxyphenyl)sulfamoyl]benzoyl]amino]acetic acid
CID 31475850
2-[3-[(2-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 47060136
2-[3-(ethylcarbamoyloxy)phenyl]acetic acid
CID 144799433
N-ethyl-3-methyl-4-(2-phenylethylamino)benzamide
CID 60934976
2-[3-[3-amino-2-(2,4-dichloro-5-methylphenyl)sulfonyl-4-(ethylcarbamoyl)phenoxy]phenyl]acetic acid
CID 174544606
3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-ethoxyphenyl)methyl]-4-methylbenzamide
CID 92675351
2-[4-[2-[(2,4-dichlorophenyl)sulfonylamino]-4-(ethylcarbamoyl)phenyl]sulfonylphenyl]acetic acid
CID 59644684
3-(2,4-dimethylphenoxy)-N-ethylbenzamide
CID 12941864
N-(2-ethoxyphenyl)-2,4-dimethylbenzenesulfonamide
CID 7742393
2-[3-[4-amino-2-[(4-chlorophenyl)sulfonylamino]phenoxy]phenyl]acetic acid
CID 45486034
3-[(2,5-dimethylphenyl)sulfamoyl]-N-ethyl-4-methylbenzamide
CID 961911

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[[4-(ethylcarbamoyl)-2-methylphenyl]sulfonylamino]phenoxy]phenyl]acetic acid?
The IUPAC name of 2-[3-[2-[[4-(ethylcarbamoyl)-2-methylphenyl]sulfonylamino]phenoxy]phenyl]acetic acid (CID 69488395) is 2-[3-[2-[[4-(ethylcarbamoyl)-2-methylphenyl]sulfonylamino]phenoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[2-[[4-(ethylcarbamoyl)-2-methylphenyl]sulfonylamino]phenoxy]phenyl]acetic acid?
The canonical SMILES for 2-[3-[2-[[4-(ethylcarbamoyl)-2-methylphenyl]sulfonylamino]phenoxy]phenyl]acetic acid is CCNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Oc2cccc(CC(=O)O)c2)c(C)c1.
What is the InChIKey of 2-[3-[2-[[4-(ethylcarbamoyl)-2-methylphenyl]sulfonylamino]phenoxy]phenyl]acetic acid?
The InChIKey is VENSFTMJXNYNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O6S/c1-3-25-24(29)18-11-12-22(16(2)13-18)33(30,31)26-20-9-4-5-10-21(20)32-19-8-6-7-17(14-19)15-23(27)28/h4-14,26H,3,15H2,1-2H3,(H,25,29)(H,27,28).
What are the key properties of 2-[3-[2-[[4-(ethylcarbamoyl)-2-methylphenyl]sulfonylamino]phenoxy]phenyl]acetic acid?
2-[3-[2-[[4-(ethylcarbamoyl)-2-methylphenyl]sulfonylamino]phenoxy]phenyl]acetic acid has a molecular weight of 468.53 g/mol, XLogP of 3.96, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[[4-(ethylcarbamoyl)-2-methylphenyl]sulfonylamino]phenoxy]phenyl]acetic acid is sourced from PubChem (CID 69488395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).