2-(4-benzylpiperidin-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide

C22H29N3O3S — CID 8904565

IUPAC2-(4-benzylpiperidin-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)CN2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C22H29N3O3S/c1-24(2)29(27,28)21-10-6-9-20(16-21)23-22(26)17-25-13-11-19(12-14-25)15-18-7-4-3-5-8-18/h3-10,16,19H,11-15,17H2,1-2H3,(H,23,26)
InChIKeyVGLQTUNVVPAXCS-UHFFFAOYSA-N
MW415.56 g/mol
LogP2.83
Rot. Bonds7

About 2-(4-benzylpiperidin-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide

2-(4-benzylpiperidin-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide (PubChem CID 8904565) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
PubChem CID8904565
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC Name2-(4-benzylpiperidin-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)CN2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C22H29N3O3S/c1-24(2)29(27,28)21-10-6-9-20(16-21)23-22(26)17-25-13-11-19(12-14-25)15-18-7-4-3-5-8-18/h3-10,16,19H,11-15,17H2,1-2H3,(H,23,26)
InChIKeyVGLQTUNVVPAXCS-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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Related Compounds

3-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]-N-ethylbenzamide
CID 8539004
2-(4-benzylpiperidin-1-yl)-N-(4-ethylphenyl)acetamide
CID 17380707
methyl (2R)-4-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]thiomorpholine-2-carboxylate
CID 8549718
2-(cyclopropylmethylamino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide;hydrochloride
CID 119672943
N-[3-(dimethylsulfamoyl)phenyl]-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide
CID 43039662
2-(4-benzylpiperidin-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 16554623
dilithium bis(2-(4-benzylpiperidin-1-yl)acetate)
CID 162364859
2-(4-benzylpiperidin-1-yl)-N-(4-ethoxyphenyl)acetamide
CID 22198150
N-[3-(dimethylsulfamoyl)phenyl]-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide
CID 8724718
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-ethylphenyl)acetamide
CID 9104917
2-(4-benzylpiperidin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 40706204
2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 8930825

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide (CID 8904565) is 2-(4-benzylpiperidin-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide is CN(C)S(=O)(=O)c1cccc(NC(=O)CN2CCC(Cc3ccccc3)CC2)c1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The InChIKey is VGLQTUNVVPAXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-24(2)29(27,28)21-10-6-9-20(16-21)23-22(26)17-25-13-11-19(12-14-25)15-18-7-4-3-5-8-18/h3-10,16,19H,11-15,17H2,1-2H3,(H,23,26).
What are the key properties of 2-(4-benzylpiperidin-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
2-(4-benzylpiperidin-1-yl)-N-[3-(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-[3-(dimethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 8904565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).