4-(dimethylsulfamoyl)-N-(3-hydroxy-3-phenylpropyl)benzamide

C18H22N2O4S — CID 90499587

IUPAC4-(dimethylsulfamoyl)-N-(3-hydroxy-3-phenylpropyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCCC(O)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O4S/c1-20(2)25(23,24)16-10-8-15(9-11-16)18(22)19-13-12-17(21)14-6-4-3-5-7-14/h3-11,17,21H,12-13H2,1-2H3,(H,19,22)
InChIKeyKINRHNFDXFPJST-UHFFFAOYSA-N
MW362.45 g/mol
LogP1.79
Rot. Bonds7

About 4-(dimethylsulfamoyl)-N-(3-hydroxy-3-phenylpropyl)benzamide

4-(dimethylsulfamoyl)-N-(3-hydroxy-3-phenylpropyl)benzamide (PubChem CID 90499587) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-(3-hydroxy-3-phenylpropyl)benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-(3-hydroxy-3-phenylpropyl)benzamide
PubChem CID90499587
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name4-(dimethylsulfamoyl)-N-(3-hydroxy-3-phenylpropyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCCC(O)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O4S/c1-20(2)25(23,24)16-10-8-15(9-11-16)18(22)19-13-12-17(21)14-6-4-3-5-7-14/h3-11,17,21H,12-13H2,1-2H3,(H,19,22)
InChIKeyKINRHNFDXFPJST-UHFFFAOYSA-N
XLogP1.79
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(dimethylsulfamoyl)-N-[(2R)-2-phenylpropyl]benzamide
CID 9301395
4-tert-butyl-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide
CID 97038568
5-(dimethylsulfamoyl)-N-(3-hydroxy-3-phenylpropyl)-1-benzofuran-2-carboxamide
CID 91950507
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-4-(dimethylsulfamoyl)benzamide
CID 71804558
4-cyano-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide
CID 96568296
4-(dimethylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide
CID 46568364
4-(dimethylsulfamoyl)-N-(1-phenylethyl)benzamide
CID 2914743
N-[2-(N-acetylanilino)ethyl]-4-(dimethylsulfamoyl)benzamide
CID 113057197
4-(benzamidocarbamoyl)-N,N-dimethylbenzenesulfonamide
CID 3304166
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-(dimethylsulfamoyl)benzamide
CID 8936839
4-(dimethylsulfamoyl)-N-(2-pyrrol-1-ylethyl)benzamide
CID 110716261
methyl 3-[[4-(dimethylsulfamoyl)benzoyl]amino]propanoate
CID 26635200

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-(3-hydroxy-3-phenylpropyl)benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-(3-hydroxy-3-phenylpropyl)benzamide (CID 90499587) is 4-(dimethylsulfamoyl)-N-(3-hydroxy-3-phenylpropyl)benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-(3-hydroxy-3-phenylpropyl)benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-(3-hydroxy-3-phenylpropyl)benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)NCCC(O)c2ccccc2)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-(3-hydroxy-3-phenylpropyl)benzamide?
The InChIKey is KINRHNFDXFPJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-20(2)25(23,24)16-10-8-15(9-11-16)18(22)19-13-12-17(21)14-6-4-3-5-7-14/h3-11,17,21H,12-13H2,1-2H3,(H,19,22).
What are the key properties of 4-(dimethylsulfamoyl)-N-(3-hydroxy-3-phenylpropyl)benzamide?
4-(dimethylsulfamoyl)-N-(3-hydroxy-3-phenylpropyl)benzamide has a molecular weight of 362.45 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-(3-hydroxy-3-phenylpropyl)benzamide is sourced from PubChem (CID 90499587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).