N-benzyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide

C22H28N2O3S — CID 4215035

IUPACN-benzyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCCC(C(=O)NCc3ccccc3)C2)c(C)c1
InChIInChI=1S/C22H28N2O3S/c1-16-12-17(2)21(18(3)13-16)28(26,27)24-11-7-10-20(15-24)22(25)23-14-19-8-5-4-6-9-19/h4-6,8-9,12-13,20H,7,10-11,14-15H2,1-3H3,(H,23,25)
InChIKeyQIRQFBRCFLBCMJ-UHFFFAOYSA-N
MW400.54 g/mol
LogP3.33
Rot. Bonds5

About N-benzyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide

N-benzyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 4215035) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is N-benzyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID4215035
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC NameN-benzyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCCC(C(=O)NCc3ccccc3)C2)c(C)c1
InChIInChI=1S/C22H28N2O3S/c1-16-12-17(2)21(18(3)13-16)28(26,27)24-11-7-10-20(15-24)22(25)23-14-19-8-5-4-6-9-19/h4-6,8-9,12-13,20H,7,10-11,14-15H2,1-3H3,(H,23,25)
InChIKeyQIRQFBRCFLBCMJ-UHFFFAOYSA-N
XLogP3.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(pyridin-3-ylmethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 7379275
(3R)-N-benzyl-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 100779953
(3R)-N-benzyl-1-[[3-methyl-5-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-3-carboxamide
CID 92887391
(3R)-1-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 1081586
N-propyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 3518998
N-benzyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 110335778
N-benzyl-N-methyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 5110733
N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 28561956
(3R)-N-benzyl-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 39730085
N-(2,6-dimethylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 5135700
(3R)-1-benzylsulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 92642299
1-(2,5-dimethylphenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 133254889

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-benzyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide (CID 4215035) is N-benzyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide is Cc1cc(C)c(S(=O)(=O)N2CCCC(C(=O)NCc3ccccc3)C2)c(C)c1.
What is the InChIKey of N-benzyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is QIRQFBRCFLBCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-16-12-17(2)21(18(3)13-16)28(26,27)24-11-7-10-20(15-24)22(25)23-14-19-8-5-4-6-9-19/h4-6,8-9,12-13,20H,7,10-11,14-15H2,1-3H3,(H,23,25).
What are the key properties of N-benzyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide?
N-benzyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 400.54 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 4215035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).