N-(2,6-diethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide

C18H28N2O3S — CID 17027123

IUPACN-(2,6-diethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)C1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C18H28N2O3S/c1-4-14-8-7-9-15(5-2)17(14)19-18(21)16-10-12-20(13-11-16)24(22,23)6-3/h7-9,16H,4-6,10-13H2,1-3H3,(H,19,21)
InChIKeyPWPLRYIXDZAOKE-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.81
Rot. Bonds6

About N-(2,6-diethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide

N-(2,6-diethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide (PubChem CID 17027123) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
PubChem CID17027123
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN-(2,6-diethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)C1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C18H28N2O3S/c1-4-14-8-7-9-15(5-2)17(14)19-18(21)16-10-12-20(13-11-16)24(22,23)6-3/h7-9,16H,4-6,10-13H2,1-3H3,(H,19,21)
InChIKeyPWPLRYIXDZAOKE-UHFFFAOYSA-N
XLogP2.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,6-diethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,6-diethylphenyl)cyclopropanecarboxamide
CID 5238371
N-(2-ethyl-6-methylphenyl)-1-(2-methoxyethylsulfonyl)piperidine-4-carboxamide
CID 110335478
N-(2,6-diethylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 26880378
N-(2-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027092
N-(2,6-diethylphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide
CID 113006871
N-(2-ethyl-6-methylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 40633565
N-(4-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027094
1-butylsulfonyl-N-(3-chloro-2,6-diethylphenyl)piperidine-4-carboxamide
CID 55770352
N-(2,6-dichlorophenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 45374342
N-(2,4-dimethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027084
1-[(2,4-dichlorophenyl)methyl]-N-(2,6-diethylphenyl)piperidine-4-carboxamide
CID 43923773
N-(2,6-diethylphenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147643

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2,6-diethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide (CID 17027123) is N-(2,6-diethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2,6-diethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide is CCc1cccc(CC)c1NC(=O)C1CCN(S(=O)(=O)CC)CC1.
What is the InChIKey of N-(2,6-diethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide?
The InChIKey is PWPLRYIXDZAOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-4-14-8-7-9-15(5-2)17(14)19-18(21)16-10-12-20(13-11-16)24(22,23)6-3/h7-9,16H,4-6,10-13H2,1-3H3,(H,19,21).
What are the key properties of N-(2,6-diethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide?
N-(2,6-diethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide has a molecular weight of 352.50 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 17027123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).