1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-4-carboxamide

C16H24N2O3S — CID 27234823

IUPAC1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1
InChIInChI=1S/C16H24N2O3S/c1-4-17-16(19)14-7-9-18(10-8-14)22(20,21)15-11-12(2)5-6-13(15)3/h5-6,11,14H,4,7-10H2,1-3H3,(H,17,19)
InChIKeyVKDKLSHZAZTLDY-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.84
Rot. Bonds4

About 1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-4-carboxamide

1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-4-carboxamide (PubChem CID 27234823) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-4-carboxamide
PubChem CID27234823
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1
InChIInChI=1S/C16H24N2O3S/c1-4-17-16(19)14-7-9-18(10-8-14)22(20,21)15-11-12(2)5-6-13(15)3/h5-6,11,14H,4,7-10H2,1-3H3,(H,17,19)
InChIKeyVKDKLSHZAZTLDY-UHFFFAOYSA-N
XLogP1.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide
CID 94764138
1-(2,5-dimethylphenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 27240838
1-(2,4-dimethylphenyl)sulfonyl-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide
CID 119505936
1-(2,5-dimethylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 100780680
1-(2,5-dimethylphenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 47090075
N-ethyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 110350939
1-(2,4-dimethylphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide
CID 27659808
1-(2,5-dimethylphenyl)sulfonyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 27234855
(3R)-1-(2,5-dimethylphenyl)sulfonyl-N-propylpiperidine-3-carboxamide
CID 94381355
N-(4-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 113008844
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide
CID 108559576
1-(2,5-dimethylphenyl)sulfonyl-N-(1-phenylethyl)piperidine-4-carboxamide
CID 133255017

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-4-carboxamide?
The IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-4-carboxamide (CID 27234823) is 1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-4-carboxamide is CCNC(=O)C1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1.
What is the InChIKey of 1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-4-carboxamide?
The InChIKey is VKDKLSHZAZTLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-4-17-16(19)14-7-9-18(10-8-14)22(20,21)15-11-12(2)5-6-13(15)3/h5-6,11,14H,4,7-10H2,1-3H3,(H,17,19).
What are the key properties of 1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-4-carboxamide?
1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-4-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-4-carboxamide is sourced from PubChem (CID 27234823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).