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

C17H26N2O4S — CID 27240838

IUPAC1-(2,5-dimethylphenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1
InChIInChI=1S/C17H26N2O4S/c1-13-4-5-14(2)16(12-13)24(21,22)19-9-6-15(7-10-19)17(20)18-8-11-23-3/h4-5,12,15H,6-11H2,1-3H3,(H,18,20)
InChIKeyVVLBDCFYEKXICF-UHFFFAOYSA-N
MW354.47 g/mol
LogP1.47
Rot. Bonds6

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

1-(2,5-dimethylphenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide (PubChem CID 27240838) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide
PubChem CID27240838
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC Name1-(2,5-dimethylphenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1
InChIInChI=1S/C17H26N2O4S/c1-13-4-5-14(2)16(12-13)24(21,22)19-9-6-15(7-10-19)17(20)18-8-11-23-3/h4-5,12,15H,6-11H2,1-3H3,(H,18,20)
InChIKeyVVLBDCFYEKXICF-UHFFFAOYSA-N
XLogP1.47
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.47
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-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-4-carboxamide
CID 27234823
N-(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113003254
1-(2,5-dimethylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 100780680
N-(2-methoxyethyl)-1-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-4-carboxamide
CID 46288681
1-(2,5-dimethylphenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 47090075
1-(2,4-dimethylphenyl)sulfonyl-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide
CID 119505936
1-(2,4-dimethylphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide
CID 27659808
1-(3,4-dimethylphenyl)sulfonyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 24542864
1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 6492332
N-(3-cyclohexyloxypropyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55408291
(3R)-1-(2,5-dimethylphenyl)sulfonyl-N-propylpiperidine-3-carboxamide
CID 94381355
N-(2-methoxyethyl)-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 6499036

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide (CID 27240838) is 1-(2,5-dimethylphenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,5-dimethylphenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,5-dimethylphenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide is COCCNC(=O)C1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1.
What is the InChIKey of 1-(2,5-dimethylphenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide?
The InChIKey is VVLBDCFYEKXICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-13-4-5-14(2)16(12-13)24(21,22)19-9-6-15(7-10-19)17(20)18-8-11-23-3/h4-5,12,15H,6-11H2,1-3H3,(H,18,20).
What are the key properties of 1-(2,5-dimethylphenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide?
1-(2,5-dimethylphenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide has a molecular weight of 354.47 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 27240838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).