[4-[[2-(2-hydroxyethylcarbamoyl)phenyl]sulfamoyl]phenyl] 2,2-dimethylpropanoate

C20H24N2O6S — CID 118727259

IUPAC[4-[[2-(2-hydroxyethylcarbamoyl)phenyl]sulfamoyl]phenyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCCO)cc1
InChIInChI=1S/C20H24N2O6S/c1-20(2,3)19(25)28-14-8-10-15(11-9-14)29(26,27)22-17-7-5-4-6-16(17)18(24)21-12-13-23/h4-11,22-23H,12-13H2,1-3H3,(H,21,24)
InChIKeyLDFVFAFYMOXYNX-UHFFFAOYSA-N
MW420.49 g/mol
LogP2.16
Rot. Bonds7

About [4-[[2-(2-hydroxyethylcarbamoyl)phenyl]sulfamoyl]phenyl] 2,2-dimethylpropanoate

[4-[[2-(2-hydroxyethylcarbamoyl)phenyl]sulfamoyl]phenyl] 2,2-dimethylpropanoate (PubChem CID 118727259) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is [4-[[2-(2-hydroxyethylcarbamoyl)phenyl]sulfamoyl]phenyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-[[2-(2-hydroxyethylcarbamoyl)phenyl]sulfamoyl]phenyl] 2,2-dimethylpropanoate
PubChem CID118727259
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC Name[4-[[2-(2-hydroxyethylcarbamoyl)phenyl]sulfamoyl]phenyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCCO)cc1
InChIInChI=1S/C20H24N2O6S/c1-20(2,3)19(25)28-14-8-10-15(11-9-14)29(26,27)22-17-7-5-4-6-16(17)18(24)21-12-13-23/h4-11,22-23H,12-13H2,1-3H3,(H,21,24)
InChIKeyLDFVFAFYMOXYNX-UHFFFAOYSA-N
XLogP2.16
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[[2-(2-hydroxyethylcarbamoyl)phenyl]sulfamoyl]phenyl] 2,2-dimethylpropanoate?
The IUPAC name of [4-[[2-(2-hydroxyethylcarbamoyl)phenyl]sulfamoyl]phenyl] 2,2-dimethylpropanoate (CID 118727259) is [4-[[2-(2-hydroxyethylcarbamoyl)phenyl]sulfamoyl]phenyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-[[2-(2-hydroxyethylcarbamoyl)phenyl]sulfamoyl]phenyl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-[[2-(2-hydroxyethylcarbamoyl)phenyl]sulfamoyl]phenyl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCCO)cc1.
What is the InChIKey of [4-[[2-(2-hydroxyethylcarbamoyl)phenyl]sulfamoyl]phenyl] 2,2-dimethylpropanoate?
The InChIKey is LDFVFAFYMOXYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-20(2,3)19(25)28-14-8-10-15(11-9-14)29(26,27)22-17-7-5-4-6-16(17)18(24)21-12-13-23/h4-11,22-23H,12-13H2,1-3H3,(H,21,24).
What are the key properties of [4-[[2-(2-hydroxyethylcarbamoyl)phenyl]sulfamoyl]phenyl] 2,2-dimethylpropanoate?
[4-[[2-(2-hydroxyethylcarbamoyl)phenyl]sulfamoyl]phenyl] 2,2-dimethylpropanoate has a molecular weight of 420.49 g/mol, XLogP of 2.16, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(2-hydroxyethylcarbamoyl)phenyl]sulfamoyl]phenyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 118727259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).