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

C23H35N3O5S — CID 124836607

IUPACN'-[[(2R)-oxolan-2-yl]methyl]-N-[2-[(2S)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)C(=O)NC[C@H]2CCCO2)c(C)c1
InChIInChI=1S/C23H35N3O5S/c1-16-13-17(2)21(18(3)14-16)32(29,30)26-11-5-4-7-19(26)9-10-24-22(27)23(28)25-15-20-8-6-12-31-20/h13-14,19-20H,4-12,15H2,1-3H3,(H,24,27)(H,25,28)/t19-,20+/m0/s1
InChIKeyTWJGHWCCLJOTRA-VQTJNVASSA-N
MW465.62 g/mol
LogP1.96
Rot. Bonds7

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

N'-[[(2R)-oxolan-2-yl]methyl]-N-[2-[(2S)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide (PubChem CID 124836607) has the molecular formula C23H35N3O5S and a molecular weight of 465.62 g/mol. Its IUPAC name is N'-[[(2R)-oxolan-2-yl]methyl]-N-[2-[(2S)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide.

Molecular Properties

Compound NameN'-[[(2R)-oxolan-2-yl]methyl]-N-[2-[(2S)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
PubChem CID124836607
Molecular FormulaC23H35N3O5S
Molecular Weight465.62 g/mol
Exact Mass465.23
IUPAC NameN'-[[(2R)-oxolan-2-yl]methyl]-N-[2-[(2S)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)C(=O)NC[C@H]2CCCO2)c(C)c1
InChIInChI=1S/C23H35N3O5S/c1-16-13-17(2)21(18(3)14-16)32(29,30)26-11-5-4-7-19(26)9-10-24-22(27)23(28)25-15-20-8-6-12-31-20/h13-14,19-20H,4-12,15H2,1-3H3,(H,24,27)(H,25,28)/t19-,20+/m0/s1
InChIKeyTWJGHWCCLJOTRA-VQTJNVASSA-N
XLogP1.96
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.62
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7280185
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-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(oxolan-2-ylmethyl)oxamide
CID 18574556
N'-[(4-methylphenyl)methyl]-N-[2-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41195264
N'-(3,5-dimethylphenyl)-N-[2-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 16829739
N-[[(2S)-1-(2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]methyl]-N'-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 124761252
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-propyl-N'-[[3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 18562479
1-phenyl-3-[2-[(2S)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]urea
CID 7280470

Frequently Asked Questions

What is the IUPAC name of N'-[[(2R)-oxolan-2-yl]methyl]-N-[2-[(2S)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide?
The IUPAC name of N'-[[(2R)-oxolan-2-yl]methyl]-N-[2-[(2S)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide (CID 124836607) is N'-[[(2R)-oxolan-2-yl]methyl]-N-[2-[(2S)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide.
What is the SMILES notation for N'-[[(2R)-oxolan-2-yl]methyl]-N-[2-[(2S)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide?
The canonical SMILES for N'-[[(2R)-oxolan-2-yl]methyl]-N-[2-[(2S)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide is Cc1cc(C)c(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)C(=O)NC[C@H]2CCCO2)c(C)c1.
What is the InChIKey of N'-[[(2R)-oxolan-2-yl]methyl]-N-[2-[(2S)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide?
The InChIKey is TWJGHWCCLJOTRA-VQTJNVASSA-N. The full InChI is InChI=1S/C23H35N3O5S/c1-16-13-17(2)21(18(3)14-16)32(29,30)26-11-5-4-7-19(26)9-10-24-22(27)23(28)25-15-20-8-6-12-31-20/h13-14,19-20H,4-12,15H2,1-3H3,(H,24,27)(H,25,28)/t19-,20+/m0/s1.
What are the key properties of N'-[[(2R)-oxolan-2-yl]methyl]-N-[2-[(2S)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide?
N'-[[(2R)-oxolan-2-yl]methyl]-N-[2-[(2S)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide has a molecular weight of 465.62 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[(2R)-oxolan-2-yl]methyl]-N-[2-[(2S)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide is sourced from PubChem (CID 124836607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).