N-[2-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-hydroxyethyl)oxamide

C17H24FN3O5S — CID 16822634

IUPACN-[2-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-hydroxyethyl)oxamide
SMILESO=C(NCCO)C(=O)NCCC1CCCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H24FN3O5S/c18-13-4-6-15(7-5-13)27(25,26)21-11-2-1-3-14(21)8-9-19-16(23)17(24)20-10-12-22/h4-7,14,22H,1-3,8-12H2,(H,19,23)(H,20,24)
InChIKeyVNFNEKVNSNYYDP-UHFFFAOYSA-N
MW401.46 g/mol
LogP-0.02
Rot. Bonds7

About N-[2-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-hydroxyethyl)oxamide

N-[2-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-hydroxyethyl)oxamide (PubChem CID 16822634) has the molecular formula C17H24FN3O5S and a molecular weight of 401.46 g/mol. Its IUPAC name is N-[2-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-hydroxyethyl)oxamide.

Molecular Properties

Compound NameN-[2-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-hydroxyethyl)oxamide
PubChem CID16822634
Molecular FormulaC17H24FN3O5S
Molecular Weight401.46 g/mol
Exact Mass401.14
IUPAC NameN-[2-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-hydroxyethyl)oxamide
SMILESO=C(NCCO)C(=O)NCCC1CCCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H24FN3O5S/c18-13-4-6-15(7-5-13)27(25,26)21-11-2-1-3-14(21)8-9-19-16(23)17(24)20-10-12-22/h4-7,14,22H,1-3,8-12H2,(H,19,23)(H,20,24)
InChIKeyVNFNEKVNSNYYDP-UHFFFAOYSA-N
XLogP-0.02
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-fluorophenyl)-N-[2-[(2R)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41194512
N-butyl-N'-[2-[(2R)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 7280365
N'-(4-fluorophenyl)-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 18574389
N-[2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(pyridin-4-ylmethyl)oxamide
CID 41184438
N'-[(2-fluorophenyl)methyl]-N-[2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41194687
N'-(2,6-dimethylphenyl)-N-[2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41194610
N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-[2-(4-fluorophenyl)ethyl]oxamide
CID 18574278
N-[2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-(4-fluorophenyl)oxamide
CID 41194131
N'-[(2-chlorophenyl)methyl]-N-[2-[(2R)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41194624
N-[2-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-[(2-methylphenyl)methyl]oxamide
CID 18574361
1-tert-butyl-3-[2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]urea
CID 7280389
N'-[2-(cyclohexen-1-yl)ethyl]-N-[2-[(2R)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41194488

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-hydroxyethyl)oxamide?
The IUPAC name of N-[2-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-hydroxyethyl)oxamide (CID 16822634) is N-[2-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-hydroxyethyl)oxamide.
What is the SMILES notation for N-[2-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-hydroxyethyl)oxamide?
The canonical SMILES for N-[2-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-hydroxyethyl)oxamide is O=C(NCCO)C(=O)NCCC1CCCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-hydroxyethyl)oxamide?
The InChIKey is VNFNEKVNSNYYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O5S/c18-13-4-6-15(7-5-13)27(25,26)21-11-2-1-3-14(21)8-9-19-16(23)17(24)20-10-12-22/h4-7,14,22H,1-3,8-12H2,(H,19,23)(H,20,24).
What are the key properties of N-[2-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-hydroxyethyl)oxamide?
N-[2-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-hydroxyethyl)oxamide has a molecular weight of 401.46 g/mol, XLogP of -0.02, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-hydroxyethyl)oxamide is sourced from PubChem (CID 16822634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).