4-(dimethylsulfamoyl)-N-(2-phenoxyethyl)benzamide

C17H20N2O4S — CID 2291802

IUPAC4-(dimethylsulfamoyl)-N-(2-phenoxyethyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCCOc2ccccc2)cc1
InChIInChI=1S/C17H20N2O4S/c1-19(2)24(21,22)16-10-8-14(9-11-16)17(20)18-12-13-23-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,18,20)
InChIKeyYYNLCASTGGOMAY-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.75
Rot. Bonds7

About 4-(dimethylsulfamoyl)-N-(2-phenoxyethyl)benzamide

4-(dimethylsulfamoyl)-N-(2-phenoxyethyl)benzamide (PubChem CID 2291802) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-(2-phenoxyethyl)benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-(2-phenoxyethyl)benzamide
PubChem CID2291802
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name4-(dimethylsulfamoyl)-N-(2-phenoxyethyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCCOc2ccccc2)cc1
InChIInChI=1S/C17H20N2O4S/c1-19(2)24(21,22)16-10-8-14(9-11-16)17(20)18-12-13-23-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,18,20)
InChIKeyYYNLCASTGGOMAY-UHFFFAOYSA-N
XLogP1.75
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-(2-phenoxyethyl)benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-(2-phenoxyethyl)benzamide (CID 2291802) is 4-(dimethylsulfamoyl)-N-(2-phenoxyethyl)benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-(2-phenoxyethyl)benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-(2-phenoxyethyl)benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)NCCOc2ccccc2)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-(2-phenoxyethyl)benzamide?
The InChIKey is YYNLCASTGGOMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-19(2)24(21,22)16-10-8-14(9-11-16)17(20)18-12-13-23-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,18,20).
What are the key properties of 4-(dimethylsulfamoyl)-N-(2-phenoxyethyl)benzamide?
4-(dimethylsulfamoyl)-N-(2-phenoxyethyl)benzamide has a molecular weight of 348.42 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-(2-phenoxyethyl)benzamide is sourced from PubChem (CID 2291802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).