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

C20H23NO5S — CID 118202510

IUPAC[4-[(2-propanoylphenyl)sulfamoyl]phenyl] 2,2-dimethylpropanoate
SMILESCCC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1
InChIInChI=1S/C20H23NO5S/c1-5-18(22)16-8-6-7-9-17(16)21-27(24,25)15-12-10-14(11-13-15)26-19(23)20(2,3)4/h6-13,21H,5H2,1-4H3
InChIKeyUQPTUNNZRQYDPH-UHFFFAOYSA-N
MW389.47 g/mol
LogP4.03
Rot. Bonds6

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

[4-[(2-propanoylphenyl)sulfamoyl]phenyl] 2,2-dimethylpropanoate (PubChem CID 118202510) has the molecular formula C20H23NO5S and a molecular weight of 389.47 g/mol. Its IUPAC name is [4-[(2-propanoylphenyl)sulfamoyl]phenyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-[(2-propanoylphenyl)sulfamoyl]phenyl] 2,2-dimethylpropanoate
PubChem CID118202510
Molecular FormulaC20H23NO5S
Molecular Weight389.47 g/mol
Exact Mass389.13
IUPAC Name[4-[(2-propanoylphenyl)sulfamoyl]phenyl] 2,2-dimethylpropanoate
SMILESCCC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1
InChIInChI=1S/C20H23NO5S/c1-5-18(22)16-8-6-7-9-17(16)21-27(24,25)15-12-10-14(11-13-15)26-19(23)20(2,3)4/h6-13,21H,5H2,1-4H3
InChIKeyUQPTUNNZRQYDPH-UHFFFAOYSA-N
XLogP4.03
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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5-(3-Carboxyphenoxy)-2-(p-tolylsulfonylamino)benzoic acid
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[4-[(2-Formylphenyl)sulfamoyl]phenyl] 2,2-dimethylpropanoate
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[4-[(2-Butanoylphenyl)sulfamoyl]phenyl] 2,2-dimethylpropanoate
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[4-[[2-(2-Hydroxyethylcarbamoyl)phenyl]sulfamoyl]phenyl] 2,2-dimethylpropanoate
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Frequently Asked Questions

What is the IUPAC name of [4-[(2-propanoylphenyl)sulfamoyl]phenyl] 2,2-dimethylpropanoate?
The IUPAC name of [4-[(2-propanoylphenyl)sulfamoyl]phenyl] 2,2-dimethylpropanoate (CID 118202510) is [4-[(2-propanoylphenyl)sulfamoyl]phenyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-[(2-propanoylphenyl)sulfamoyl]phenyl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-[(2-propanoylphenyl)sulfamoyl]phenyl] 2,2-dimethylpropanoate is CCC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1.
What is the InChIKey of [4-[(2-propanoylphenyl)sulfamoyl]phenyl] 2,2-dimethylpropanoate?
The InChIKey is UQPTUNNZRQYDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5S/c1-5-18(22)16-8-6-7-9-17(16)21-27(24,25)15-12-10-14(11-13-15)26-19(23)20(2,3)4/h6-13,21H,5H2,1-4H3.
What are the key properties of [4-[(2-propanoylphenyl)sulfamoyl]phenyl] 2,2-dimethylpropanoate?
[4-[(2-propanoylphenyl)sulfamoyl]phenyl] 2,2-dimethylpropanoate has a molecular weight of 389.47 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-propanoylphenyl)sulfamoyl]phenyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 118202510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).