2-(4-benzylpiperidin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide

C22H29N3O3S — CID 2498147

IUPAC2-(4-benzylpiperidin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)CN2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H29N3O3S/c1-24(2)29(27,28)21-10-8-20(9-11-21)23-22(26)17-25-14-12-19(13-15-25)16-18-6-4-3-5-7-18/h3-11,19H,12-17H2,1-2H3,(H,23,26)
InChIKeyWIMJIADIZQNENK-UHFFFAOYSA-N
MW415.56 g/mol
LogP2.83
Rot. Bonds7

About 2-(4-benzylpiperidin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide

2-(4-benzylpiperidin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide (PubChem CID 2498147) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
PubChem CID2498147
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC Name2-(4-benzylpiperidin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)CN2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H29N3O3S/c1-24(2)29(27,28)21-10-8-20(9-11-21)23-22(26)17-25-14-12-19(13-15-25)16-18-6-4-3-5-7-18/h3-11,19H,12-17H2,1-2H3,(H,23,26)
InChIKeyWIMJIADIZQNENK-UHFFFAOYSA-N
XLogP2.83
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide (CID 2498147) is 2-(4-benzylpiperidin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide is CN(C)S(=O)(=O)c1ccc(NC(=O)CN2CCC(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide?
The InChIKey is WIMJIADIZQNENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-24(2)29(27,28)21-10-8-20(9-11-21)23-22(26)17-25-14-12-19(13-15-25)16-18-6-4-3-5-7-18/h3-11,19H,12-17H2,1-2H3,(H,23,26).
What are the key properties of 2-(4-benzylpiperidin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide?
2-(4-benzylpiperidin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide has a molecular weight of 415.56 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 2498147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).