N-[2-(2,6-dimethylphenoxy)ethyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide

C24H32N2O4S — CID 78878249

IUPACN-[2-(2,6-dimethylphenoxy)ethyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCCOc2c(C)cccc2C)(c2ccccc2)CC1
InChIInChI=1S/C24H32N2O4S/c1-4-31(28,29)26-16-13-24(14-17-26,21-11-6-5-7-12-21)23(27)25-15-18-30-22-19(2)9-8-10-20(22)3/h5-12H,4,13-18H2,1-3H3,(H,25,27)
InChIKeyAKJJJOPWGCHGSB-UHFFFAOYSA-N
MW444.60 g/mol
LogP3.18
Rot. Bonds8

About N-[2-(2,6-dimethylphenoxy)ethyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide

N-[2-(2,6-dimethylphenoxy)ethyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide (PubChem CID 78878249) has the molecular formula C24H32N2O4S and a molecular weight of 444.60 g/mol. Its IUPAC name is N-[2-(2,6-dimethylphenoxy)ethyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylphenoxy)ethyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
PubChem CID78878249
Molecular FormulaC24H32N2O4S
Molecular Weight444.60 g/mol
Exact Mass444.21
IUPAC NameN-[2-(2,6-dimethylphenoxy)ethyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCCOc2c(C)cccc2C)(c2ccccc2)CC1
InChIInChI=1S/C24H32N2O4S/c1-4-31(28,29)26-16-13-24(14-17-26,21-11-6-5-7-12-21)23(27)25-15-18-30-22-19(2)9-8-10-20(22)3/h5-12H,4,13-18H2,1-3H3,(H,25,27)
InChIKeyAKJJJOPWGCHGSB-UHFFFAOYSA-N
XLogP3.18
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethylsulfonyl-N-[2-(3-methylphenoxy)ethyl]-4-phenylpiperidine-4-carboxamide
CID 78816447
1-ethylsulfonyl-N-(3-phenoxypropyl)-4-phenylpiperidine-4-carboxamide
CID 78819852
N-butyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78815994
N-(3-cyclohexyloxypropyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78840882
1-ethylsulfonyl-4-phenyl-N-prop-2-enylpiperidine-4-carboxamide
CID 78816036
N-(2-amino-2-ethylbutyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 119643803
N-[(3-ethoxyphenyl)methyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78887706
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78816298
1-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]-4-phenylpiperidine-4-carboxamide
CID 78816371
N-[2-(2-methylphenoxy)ethyl]-1-phenylcyclopentane-1-carboxamide
CID 99848155
1-ethylsulfonyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-phenylpiperidine-4-carboxamide
CID 78837890
1-ethylsulfonyl-4-phenyl-N-(3-phenylprop-2-ynyl)piperidine-4-carboxamide
CID 78841149

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylphenoxy)ethyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylphenoxy)ethyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide (CID 78878249) is N-[2-(2,6-dimethylphenoxy)ethyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylphenoxy)ethyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylphenoxy)ethyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)NCCOc2c(C)cccc2C)(c2ccccc2)CC1.
What is the InChIKey of N-[2-(2,6-dimethylphenoxy)ethyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide?
The InChIKey is AKJJJOPWGCHGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4S/c1-4-31(28,29)26-16-13-24(14-17-26,21-11-6-5-7-12-21)23(27)25-15-18-30-22-19(2)9-8-10-20(22)3/h5-12H,4,13-18H2,1-3H3,(H,25,27).
What are the key properties of N-[2-(2,6-dimethylphenoxy)ethyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide?
N-[2-(2,6-dimethylphenoxy)ethyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide has a molecular weight of 444.60 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylphenoxy)ethyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 78878249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).