N-[2-(2,6-dimethylphenoxy)-1-phenylethyl]-1-methylsulfonylpiperidine-4-carboxamide

C23H30N2O4S — CID 71856544

IUPACN-[2-(2,6-dimethylphenoxy)-1-phenylethyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCc1cccc(C)c1OCC(NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccccc1
InChIInChI=1S/C23H30N2O4S/c1-17-8-7-9-18(2)22(17)29-16-21(19-10-5-4-6-11-19)24-23(26)20-12-14-25(15-13-20)30(3,27)28/h4-11,20-21H,12-16H2,1-3H3,(H,24,26)
InChIKeyXUFUSNXUUFGASE-UHFFFAOYSA-N
MW430.57 g/mol
LogP3.21
Rot. Bonds7

About N-[2-(2,6-dimethylphenoxy)-1-phenylethyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[2-(2,6-dimethylphenoxy)-1-phenylethyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 71856544) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is N-[2-(2,6-dimethylphenoxy)-1-phenylethyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylphenoxy)-1-phenylethyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID71856544
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC NameN-[2-(2,6-dimethylphenoxy)-1-phenylethyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCc1cccc(C)c1OCC(NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccccc1
InChIInChI=1S/C23H30N2O4S/c1-17-8-7-9-18(2)22(17)29-16-21(19-10-5-4-6-11-19)24-23(26)20-12-14-25(15-13-20)30(3,27)28/h4-11,20-21H,12-16H2,1-3H3,(H,24,26)
InChIKeyXUFUSNXUUFGASE-UHFFFAOYSA-N
XLogP3.21
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 91630056
N-[(1S)-1-phenylbutyl]-1-sulfamoylpiperidine-4-carboxamide
CID 31977352
(2,6-dimethylphenyl) 1-methylsulfonylpiperidine-4-carboxylate
CID 24603261
N-[1-(4-methoxyphenyl)-3-methylbutyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 50944837
1-benzylsulfonyl-N-[(1S)-1-phenylpropyl]piperidine-4-carboxamide
CID 92676349
1-methylsulfonyl-N-[(2S)-2-phenylbutyl]piperidine-4-carboxamide
CID 30016105
N-[(1R)-3-methyl-1-phenylbutyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 25478191
1-methylsulfonyl-N-(2-phenyl-2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 110357434
1-[(2-methylphenyl)methylsulfonyl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 92802456
1-methyl-N-(1-phenylpropyl)piperidine-4-carboxamide
CID 50875269
N-(3-methyl-1-phenylbutyl)-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 46772832
1-[(3-chlorophenyl)methylsulfonyl]-N-[(1R)-1-phenylpropyl]piperidine-4-carboxamide
CID 92679179

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylphenoxy)-1-phenylethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylphenoxy)-1-phenylethyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 71856544) is N-[2-(2,6-dimethylphenoxy)-1-phenylethyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylphenoxy)-1-phenylethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylphenoxy)-1-phenylethyl]-1-methylsulfonylpiperidine-4-carboxamide is Cc1cccc(C)c1OCC(NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccccc1.
What is the InChIKey of N-[2-(2,6-dimethylphenoxy)-1-phenylethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is XUFUSNXUUFGASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-17-8-7-9-18(2)22(17)29-16-21(19-10-5-4-6-11-19)24-23(26)20-12-14-25(15-13-20)30(3,27)28/h4-11,20-21H,12-16H2,1-3H3,(H,24,26).
What are the key properties of N-[2-(2,6-dimethylphenoxy)-1-phenylethyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[2-(2,6-dimethylphenoxy)-1-phenylethyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 430.57 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylphenoxy)-1-phenylethyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 71856544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).