N-[2-(2-methoxyethylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide

C17H25N3O5S — CID 132657722

IUPACN-[2-(2-methoxyethylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCOCCNC(=O)c1ccccc1NC(=O)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C17H25N3O5S/c1-25-11-9-18-17(22)14-7-3-4-8-15(14)19-16(21)13-6-5-10-20(12-13)26(2,23)24/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyNYBLHCFYKKAXTE-UHFFFAOYSA-N
MW383.47 g/mol
LogP0.67
Rot. Bonds7

About N-[2-(2-methoxyethylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide

N-[2-(2-methoxyethylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 132657722) has the molecular formula C17H25N3O5S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[2-(2-methoxyethylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID132657722
Molecular FormulaC17H25N3O5S
Molecular Weight383.47 g/mol
Exact Mass383.15
IUPAC NameN-[2-(2-methoxyethylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCOCCNC(=O)c1ccccc1NC(=O)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C17H25N3O5S/c1-25-11-9-18-17(22)14-7-3-4-8-15(14)19-16(21)13-6-5-10-20(12-13)26(2,23)24/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyNYBLHCFYKKAXTE-UHFFFAOYSA-N
XLogP0.67
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-ethylsulfonyl-N-[2-(2-methoxyethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 132660688
(3S)-1-ethylsulfonyl-N-[2-(3-methoxypropylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 125042744
(3S)-N-[2-(2-methoxyethylcarbamoyl)phenyl]-1-methylpiperidine-3-carboxamide
CID 99970188
N-(2-methoxyethyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 2992280
(3S)-1-methylsulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-3-carboxamide
CID 33170416
N-[2-(hydroxymethyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 61497891
(3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-[2-(propylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 25492914
1-(dimethylsulfamoyl)-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 132984866
1-[(4-chlorophenyl)methylsulfonyl]-N-[2-(2-methoxyethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 92642602
(3S)-1-(dimethylsulfamoyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 94019369
1-(4-chlorophenyl)sulfonyl-N-[2-(2-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 133189446
(3S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 7030670

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[2-(2-methoxyethylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide (CID 132657722) is N-[2-(2-methoxyethylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyethylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-(2-methoxyethylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide is COCCNC(=O)c1ccccc1NC(=O)C1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of N-[2-(2-methoxyethylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is NYBLHCFYKKAXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5S/c1-25-11-9-18-17(22)14-7-3-4-8-15(14)19-16(21)13-6-5-10-20(12-13)26(2,23)24/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H,18,22)(H,19,21).
What are the key properties of N-[2-(2-methoxyethylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide?
N-[2-(2-methoxyethylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 0.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 132657722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).