N-[(2-methylphenyl)methyl]-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide

C21H26N2O3S — CID 113003987

IUPACN-[(2-methylphenyl)methyl]-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3C)CC2)c1
InChIInChI=1S/C21H26N2O3S/c1-16-6-5-9-20(14-16)27(25,26)23-12-10-18(11-13-23)21(24)22-15-19-8-4-3-7-17(19)2/h3-9,14,18H,10-13,15H2,1-2H3,(H,22,24)
InChIKeySLYIIOGPUWDUTG-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.02
Rot. Bonds5

About N-[(2-methylphenyl)methyl]-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide

N-[(2-methylphenyl)methyl]-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 113003987) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID113003987
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-[(2-methylphenyl)methyl]-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3C)CC2)c1
InChIInChI=1S/C21H26N2O3S/c1-16-6-5-9-20(14-16)27(25,26)23-12-10-18(11-13-23)21(24)22-15-19-8-4-3-7-17(19)2/h3-9,14,18H,10-13,15H2,1-2H3,(H,22,24)
InChIKeySLYIIOGPUWDUTG-UHFFFAOYSA-N
XLogP3.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113003936
N-ethyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 110350939
N-[(2,4-dimethylphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 55583735
1-(3-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 113004473
1-(3,4-dimethylphenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 38294416
N-(furan-2-ylmethyl)-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113003913
N-[(2,4-dimethylphenyl)methyl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 55582473
N-[(2-methylphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 27839070
1-(2-cyanophenyl)sulfonyl-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 26928378
1-(3,4-dimethoxyphenyl)sulfonyl-N-[(2,4-dimethylphenyl)methyl]piperidine-4-carboxamide
CID 46587702
1-(4-fluorophenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 38294766
[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-phenylmethanone
CID 110394034

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 113003987) is N-[(2-methylphenyl)methyl]-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide is Cc1cccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3C)CC2)c1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is SLYIIOGPUWDUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-16-6-5-9-20(14-16)27(25,26)23-12-10-18(11-13-23)21(24)22-15-19-8-4-3-7-17(19)2/h3-9,14,18H,10-13,15H2,1-2H3,(H,22,24).
What are the key properties of N-[(2-methylphenyl)methyl]-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide?
N-[(2-methylphenyl)methyl]-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 113003987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).