N-(2-ethyl-6-methylphenyl)-1-(2-methoxyethylsulfonyl)piperidine-4-carboxamide

C18H28N2O4S — CID 110335478

IUPACN-(2-ethyl-6-methylphenyl)-1-(2-methoxyethylsulfonyl)piperidine-4-carboxamide
SMILESCCc1cccc(C)c1NC(=O)C1CCN(S(=O)(=O)CCOC)CC1
InChIInChI=1S/C18H28N2O4S/c1-4-15-7-5-6-14(2)17(15)19-18(21)16-8-10-20(11-9-16)25(22,23)13-12-24-3/h5-7,16H,4,8-13H2,1-3H3,(H,19,21)
InChIKeyIURCXTRBWIMKOW-UHFFFAOYSA-N
MW368.50 g/mol
LogP2.18
Rot. Bonds7

About N-(2-ethyl-6-methylphenyl)-1-(2-methoxyethylsulfonyl)piperidine-4-carboxamide

N-(2-ethyl-6-methylphenyl)-1-(2-methoxyethylsulfonyl)piperidine-4-carboxamide (PubChem CID 110335478) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-1-(2-methoxyethylsulfonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-1-(2-methoxyethylsulfonyl)piperidine-4-carboxamide
PubChem CID110335478
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC NameN-(2-ethyl-6-methylphenyl)-1-(2-methoxyethylsulfonyl)piperidine-4-carboxamide
SMILESCCc1cccc(C)c1NC(=O)C1CCN(S(=O)(=O)CCOC)CC1
InChIInChI=1S/C18H28N2O4S/c1-4-15-7-5-6-14(2)17(15)19-18(21)16-8-10-20(11-9-16)25(22,23)13-12-24-3/h5-7,16H,4,8-13H2,1-3H3,(H,19,21)
InChIKeyIURCXTRBWIMKOW-UHFFFAOYSA-N
XLogP2.18
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-diethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027123
N-(2,5-dimethylphenyl)-1-(2-methoxyethylsulfonyl)piperidine-4-carboxamide
CID 110335470
N-(2-ethyl-6-methylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 40633565
N-(2-ethyl-6-methylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 113006744
(3S)-N-(2-ethyl-6-methylphenyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 92671968
N-(2-ethyl-6-methylphenyl)-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113006759
N-(2-ethyl-6-methylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384738
N-(2-ethyl-6-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45006997
1-(2-methoxyethylsulfonyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 110335435
N-(2-ethyl-6-methylphenyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 113006739
(3R)-1-(dimethylsulfamoyl)-N-(2-ethyl-6-methylphenyl)piperidine-3-carboxamide
CID 94011647
N-(2,6-diethylphenyl)cyclopropanecarboxamide
CID 5238371

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-1-(2-methoxyethylsulfonyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-1-(2-methoxyethylsulfonyl)piperidine-4-carboxamide (CID 110335478) is N-(2-ethyl-6-methylphenyl)-1-(2-methoxyethylsulfonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-1-(2-methoxyethylsulfonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-1-(2-methoxyethylsulfonyl)piperidine-4-carboxamide is CCc1cccc(C)c1NC(=O)C1CCN(S(=O)(=O)CCOC)CC1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-1-(2-methoxyethylsulfonyl)piperidine-4-carboxamide?
The InChIKey is IURCXTRBWIMKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-4-15-7-5-6-14(2)17(15)19-18(21)16-8-10-20(11-9-16)25(22,23)13-12-24-3/h5-7,16H,4,8-13H2,1-3H3,(H,19,21).
What are the key properties of N-(2-ethyl-6-methylphenyl)-1-(2-methoxyethylsulfonyl)piperidine-4-carboxamide?
N-(2-ethyl-6-methylphenyl)-1-(2-methoxyethylsulfonyl)piperidine-4-carboxamide has a molecular weight of 368.50 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-1-(2-methoxyethylsulfonyl)piperidine-4-carboxamide is sourced from PubChem (CID 110335478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).