1-(2-methylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanesulfonamide

C22H30N2O2S — CID 16887899

IUPAC1-(2-methylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)NCC1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H30N2O2S/c1-19-7-5-6-10-22(19)18-27(25,26)23-17-21-12-15-24(16-13-21)14-11-20-8-3-2-4-9-20/h2-10,21,23H,11-18H2,1H3
InChIKeyJUMUJSLUCBYNIZ-UHFFFAOYSA-N
MW386.56 g/mol
LogP3.37
Rot. Bonds8

About 1-(2-methylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanesulfonamide

1-(2-methylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanesulfonamide (PubChem CID 16887899) has the molecular formula C22H30N2O2S and a molecular weight of 386.56 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-methylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanesulfonamide
PubChem CID16887899
Molecular FormulaC22H30N2O2S
Molecular Weight386.56 g/mol
Exact Mass386.20
IUPAC Name1-(2-methylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)NCC1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H30N2O2S/c1-19-7-5-6-10-22(19)18-27(25,26)23-17-21-12-15-24(16-13-21)14-11-20-8-3-2-4-9-20/h2-10,21,23H,11-18H2,1H3
InChIKeyJUMUJSLUCBYNIZ-UHFFFAOYSA-N
XLogP3.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanesulfonamide
CID 16887905
2,5-dimethyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16887877
3-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16887867
1-(2-methylphenyl)-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]methanesulfonamide
CID 110413827
N-[(4-methylmorpholin-2-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110710274
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(3-methylphenyl)methanesulfonamide
CID 16887670
4-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1-[(2-methylphenyl)methyl]piperidine
CID 56745274
N-[(1-acetylpiperidin-4-yl)methyl]-3-phenylpropane-1-sulfonamide
CID 110736247
N-[(1-benzylpiperidin-4-yl)methyl]-1-(4-methoxyphenyl)methanesulfonamide
CID 16887837
N'-(2,3-dimethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
CID 16886973
1,4-bis(2-phenylethyl)piperidine
CID 86059939
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(4-methylphenyl)methanesulfonamide
CID 16887671

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanesulfonamide?
The IUPAC name of 1-(2-methylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanesulfonamide (CID 16887899) is 1-(2-methylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanesulfonamide.
What is the SMILES notation for 1-(2-methylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanesulfonamide?
The canonical SMILES for 1-(2-methylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanesulfonamide is Cc1ccccc1CS(=O)(=O)NCC1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 1-(2-methylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanesulfonamide?
The InChIKey is JUMUJSLUCBYNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2S/c1-19-7-5-6-10-22(19)18-27(25,26)23-17-21-12-15-24(16-13-21)14-11-20-8-3-2-4-9-20/h2-10,21,23H,11-18H2,1H3.
What are the key properties of 1-(2-methylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanesulfonamide?
1-(2-methylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanesulfonamide has a molecular weight of 386.56 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanesulfonamide is sourced from PubChem (CID 16887899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).