N'-[(4-methylphenyl)methyl]-N-[2-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide

C26H35N3O4S — CID 41195264

IUPACN'-[(4-methylphenyl)methyl]-N-[2-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
SMILESCc1ccc(CNC(=O)C(=O)NCC[C@H]2CCCCN2S(=O)(=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C26H35N3O4S/c1-18-8-10-22(11-9-18)17-28-26(31)25(30)27-13-12-23-7-5-6-14-29(23)34(32,33)24-20(3)15-19(2)16-21(24)4/h8-11,15-16,23H,5-7,12-14,17H2,1-4H3,(H,27,30)(H,28,31)/t23-/m1/s1
InChIKeyXFAPTNCCZIPAQP-HSZRJFAPSA-N
MW485.65 g/mol
LogP3.29
Rot. Bonds7

About N'-[(4-methylphenyl)methyl]-N-[2-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide

N'-[(4-methylphenyl)methyl]-N-[2-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide (PubChem CID 41195264) has the molecular formula C26H35N3O4S and a molecular weight of 485.65 g/mol. Its IUPAC name is N'-[(4-methylphenyl)methyl]-N-[2-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide.

Molecular Properties

Compound NameN'-[(4-methylphenyl)methyl]-N-[2-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
PubChem CID41195264
Molecular FormulaC26H35N3O4S
Molecular Weight485.65 g/mol
Exact Mass485.23
IUPAC NameN'-[(4-methylphenyl)methyl]-N-[2-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
SMILESCc1ccc(CNC(=O)C(=O)NCC[C@H]2CCCCN2S(=O)(=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C26H35N3O4S/c1-18-8-10-22(11-9-18)17-28-26(31)25(30)27-13-12-23-7-5-6-14-29(23)34(32,33)24-20(3)15-19(2)16-21(24)4/h8-11,15-16,23H,5-7,12-14,17H2,1-4H3,(H,27,30)(H,28,31)/t23-/m1/s1
InChIKeyXFAPTNCCZIPAQP-HSZRJFAPSA-N
XLogP3.29
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.65
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N'-[2-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 16829747
N-butyl-N'-[2-[(2S)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41195310
N'-cyclopentyl-N-[2-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 16829734
N'-(3,5-dimethylphenyl)-N-[2-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 16829739
N'-[(4-chlorophenyl)methyl]-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 18574366
N'-[[(2R)-oxolan-2-yl]methyl]-N-[2-[(2S)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 124836607
N'-(2-chlorophenyl)-N-[2-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41195491
N'-(2,4-difluorophenyl)-N-[2-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 18574423
N-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-benzyloxamide
CID 41193896
1-phenyl-3-[2-[(2S)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]urea
CID 7280470
N-methyl-N'-[2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 7280451
N'-[2-[(2S)-1-(2,5-dimethylphenyl)sulfonylpiperidin-2-yl]ethyl]-N-propyloxamide
CID 7280594

Frequently Asked Questions

What is the IUPAC name of N'-[(4-methylphenyl)methyl]-N-[2-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide?
The IUPAC name of N'-[(4-methylphenyl)methyl]-N-[2-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide (CID 41195264) is N'-[(4-methylphenyl)methyl]-N-[2-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide.
What is the SMILES notation for N'-[(4-methylphenyl)methyl]-N-[2-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide?
The canonical SMILES for N'-[(4-methylphenyl)methyl]-N-[2-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide is Cc1ccc(CNC(=O)C(=O)NCC[C@H]2CCCCN2S(=O)(=O)c2c(C)cc(C)cc2C)cc1.
What is the InChIKey of N'-[(4-methylphenyl)methyl]-N-[2-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide?
The InChIKey is XFAPTNCCZIPAQP-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H35N3O4S/c1-18-8-10-22(11-9-18)17-28-26(31)25(30)27-13-12-23-7-5-6-14-29(23)34(32,33)24-20(3)15-19(2)16-21(24)4/h8-11,15-16,23H,5-7,12-14,17H2,1-4H3,(H,27,30)(H,28,31)/t23-/m1/s1.
What are the key properties of N'-[(4-methylphenyl)methyl]-N-[2-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide?
N'-[(4-methylphenyl)methyl]-N-[2-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide has a molecular weight of 485.65 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-methylphenyl)methyl]-N-[2-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide is sourced from PubChem (CID 41195264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).