3-(dimethylsulfamoyl)-N-(2-phenylethyl)benzamide

C17H20N2O3S — CID 1262352

IUPAC3-(dimethylsulfamoyl)-N-(2-phenylethyl)benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C17H20N2O3S/c1-19(2)23(21,22)16-10-6-9-15(13-16)17(20)18-12-11-14-7-4-3-5-8-14/h3-10,13H,11-12H2,1-2H3,(H,18,20)
InChIKeyREMMOTDQPVNIHP-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.91
Rot. Bonds6

About 3-(dimethylsulfamoyl)-N-(2-phenylethyl)benzamide

3-(dimethylsulfamoyl)-N-(2-phenylethyl)benzamide (PubChem CID 1262352) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-(2-phenylethyl)benzamide
PubChem CID1262352
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name3-(dimethylsulfamoyl)-N-(2-phenylethyl)benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C17H20N2O3S/c1-19(2)23(21,22)16-10-6-9-15(13-16)17(20)18-12-11-14-7-4-3-5-8-14/h3-10,13H,11-12H2,1-2H3,(H,18,20)
InChIKeyREMMOTDQPVNIHP-UHFFFAOYSA-N
XLogP1.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-(2-phenylethyl)benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-(2-phenylethyl)benzamide (CID 1262352) is 3-(dimethylsulfamoyl)-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-(2-phenylethyl)benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-(2-phenylethyl)benzamide is CN(C)S(=O)(=O)c1cccc(C(=O)NCCc2ccccc2)c1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-(2-phenylethyl)benzamide?
The InChIKey is REMMOTDQPVNIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-19(2)23(21,22)16-10-6-9-15(13-16)17(20)18-12-11-14-7-4-3-5-8-14/h3-10,13H,11-12H2,1-2H3,(H,18,20).
What are the key properties of 3-(dimethylsulfamoyl)-N-(2-phenylethyl)benzamide?
3-(dimethylsulfamoyl)-N-(2-phenylethyl)benzamide has a molecular weight of 332.43 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 1262352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).