1-(2,4-dimethylphenyl)sulfonyl-N-[(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide

C28H32N2O4S — CID 55806118

IUPAC1-(2,4-dimethylphenyl)sulfonyl-N-[(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3OCc3ccccc3)CC2)c(C)c1
InChIInChI=1S/C28H32N2O4S/c1-21-12-13-27(22(2)18-21)35(32,33)30-16-14-24(15-17-30)28(31)29-19-25-10-6-7-11-26(25)34-20-23-8-4-3-5-9-23/h3-13,18,24H,14-17,19-20H2,1-2H3,(H,29,31)
InChIKeyVGOYTRKTXSMZBS-UHFFFAOYSA-N
MW492.64 g/mol
LogP4.60
Rot. Bonds8

About 1-(2,4-dimethylphenyl)sulfonyl-N-[(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide

1-(2,4-dimethylphenyl)sulfonyl-N-[(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 55806118) has the molecular formula C28H32N2O4S and a molecular weight of 492.64 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)sulfonyl-N-[(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)sulfonyl-N-[(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID55806118
Molecular FormulaC28H32N2O4S
Molecular Weight492.64 g/mol
Exact Mass492.21
IUPAC Name1-(2,4-dimethylphenyl)sulfonyl-N-[(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3OCc3ccccc3)CC2)c(C)c1
InChIInChI=1S/C28H32N2O4S/c1-21-12-13-27(22(2)18-21)35(32,33)30-16-14-24(15-17-30)28(31)29-19-25-10-6-7-11-26(25)34-20-23-8-4-3-5-9-23/h3-13,18,24H,14-17,19-20H2,1-2H3,(H,29,31)
InChIKeyVGOYTRKTXSMZBS-UHFFFAOYSA-N
XLogP4.60
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.64
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-phenylethanone
CID 157316860
1-(2,4-dimethylphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 51155545
1-(2,4-dimethylphenyl)sulfonyl-N-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
CID 55724146
1-(4-methylphenyl)sulfonyl-N-[(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 46590461
N-[(2-methylphenyl)methyl]-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113003987
1-(2,4-dimethylphenyl)sulfonyl-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide
CID 119505936
1-(2,4-dimethylphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide
CID 27659808
N-[(2-fluorophenyl)methyl]-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113004210
N-[(2,4-dimethylphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 55583735
N-benzyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113003936
1-(2,4-dimethylphenyl)sulfonyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide
CID 120827983
1-[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]-N-phenylpiperidine-4-carboxamide
CID 41499726

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-N-[(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-N-[(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide (CID 55806118) is 1-(2,4-dimethylphenyl)sulfonyl-N-[(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,4-dimethylphenyl)sulfonyl-N-[(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,4-dimethylphenyl)sulfonyl-N-[(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3OCc3ccccc3)CC2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)sulfonyl-N-[(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is VGOYTRKTXSMZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O4S/c1-21-12-13-27(22(2)18-21)35(32,33)30-16-14-24(15-17-30)28(31)29-19-25-10-6-7-11-26(25)34-20-23-8-4-3-5-9-23/h3-13,18,24H,14-17,19-20H2,1-2H3,(H,29,31).
What are the key properties of 1-(2,4-dimethylphenyl)sulfonyl-N-[(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide?
1-(2,4-dimethylphenyl)sulfonyl-N-[(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 492.64 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)sulfonyl-N-[(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 55806118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).