2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxo-N-(4-sulfamoylphenyl)acetamide

C20H22FN3O4S — CID 69101225

IUPAC2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxo-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H22FN3O4S/c21-16-3-1-14(2-4-16)13-15-9-11-24(12-10-15)20(26)19(25)23-17-5-7-18(8-6-17)29(22,27)28/h1-8,15H,9-13H2,(H,23,25)(H2,22,27,28)
InChIKeyWXCSXPGDBPYVEP-UHFFFAOYSA-N
MW419.48 g/mol
LogP1.89
Rot. Bonds4

About 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxo-N-(4-sulfamoylphenyl)acetamide

2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxo-N-(4-sulfamoylphenyl)acetamide (PubChem CID 69101225) has the molecular formula C20H22FN3O4S and a molecular weight of 419.48 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxo-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxo-N-(4-sulfamoylphenyl)acetamide
PubChem CID69101225
Molecular FormulaC20H22FN3O4S
Molecular Weight419.48 g/mol
Exact Mass419.13
IUPAC Name2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxo-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H22FN3O4S/c21-16-3-1-14(2-4-16)13-15-9-11-24(12-10-15)20(26)19(25)23-17-5-7-18(8-6-17)29(22,27)28/h1-8,15H,9-13H2,(H,23,25)(H2,22,27,28)
InChIKeyWXCSXPGDBPYVEP-UHFFFAOYSA-N
XLogP1.89
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 1948
CID 1948
CID 1977749
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CID 86346644
CID 86346644
CID 142474792
CID 142474792
CID 2164921
CID 2164921
CID 2817021
CID 2817021
CID 669165
CID 669165
CID 720097
CID 720097
CID 513429
CID 513429
CID 513430
CID 513430
CID 513431
CID 513431
CID 137642180
CID 137642180

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxo-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxo-N-(4-sulfamoylphenyl)acetamide (CID 69101225) is 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxo-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxo-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxo-N-(4-sulfamoylphenyl)acetamide is NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(Cc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxo-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is WXCSXPGDBPYVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O4S/c21-16-3-1-14(2-4-16)13-15-9-11-24(12-10-15)20(26)19(25)23-17-5-7-18(8-6-17)29(22,27)28/h1-8,15H,9-13H2,(H,23,25)(H2,22,27,28).
What are the key properties of 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxo-N-(4-sulfamoylphenyl)acetamide?
2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxo-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 419.48 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxo-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 69101225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).