N-(3-ethoxypropyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide

C17H25FN2O4S — CID 3238704

IUPACN-(3-ethoxypropyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
SMILESCCOCCCNC(=O)C1CCCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H25FN2O4S/c1-2-24-13-5-11-19-17(21)16-6-3-4-12-20(16)25(22,23)15-9-7-14(18)8-10-15/h7-10,16H,2-6,11-13H2,1H3,(H,19,21)
InChIKeyHHEIRZZMKMVLJN-UHFFFAOYSA-N
MW372.46 g/mol
LogP1.91
Rot. Bonds8

About N-(3-ethoxypropyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide

N-(3-ethoxypropyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide (PubChem CID 3238704) has the molecular formula C17H25FN2O4S and a molecular weight of 372.46 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
PubChem CID3238704
Molecular FormulaC17H25FN2O4S
Molecular Weight372.46 g/mol
Exact Mass372.15
IUPAC NameN-(3-ethoxypropyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
SMILESCCOCCCNC(=O)C1CCCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H25FN2O4S/c1-2-24-13-5-11-19-17(21)16-6-3-4-12-20(16)25(22,23)15-9-7-14(18)8-10-15/h7-10,16H,2-6,11-13H2,1H3,(H,19,21)
InChIKeyHHEIRZZMKMVLJN-UHFFFAOYSA-N
XLogP1.91
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 51.91
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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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide (CID 3238704) is N-(3-ethoxypropyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide is CCOCCCNC(=O)C1CCCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(3-ethoxypropyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide?
The InChIKey is HHEIRZZMKMVLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O4S/c1-2-24-13-5-11-19-17(21)16-6-3-4-12-20(16)25(22,23)15-9-7-14(18)8-10-15/h7-10,16H,2-6,11-13H2,1H3,(H,19,21).
What are the key properties of N-(3-ethoxypropyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide?
N-(3-ethoxypropyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide has a molecular weight of 372.46 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 3238704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).