4-fluoro-N-[2-oxo-2-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylamino]ethyl]benzamide

C20H24FN5O4S — CID 46455798

IUPAC4-fluoro-N-[2-oxo-2-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylamino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H24FN5O4S/c21-17-6-4-16(5-7-17)20(28)24-15-19(27)23-9-14-31(29,30)26-12-10-25(11-13-26)18-3-1-2-8-22-18/h1-8H,9-15H2,(H,23,27)(H,24,28)
InChIKeyUWQJCGPBRMOFHT-UHFFFAOYSA-N
MW449.51 g/mol
LogP0.22
Rot. Bonds8

About 4-fluoro-N-[2-oxo-2-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylamino]ethyl]benzamide

4-fluoro-N-[2-oxo-2-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylamino]ethyl]benzamide (PubChem CID 46455798) has the molecular formula C20H24FN5O4S and a molecular weight of 449.51 g/mol. Its IUPAC name is 4-fluoro-N-[2-oxo-2-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylamino]ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-oxo-2-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylamino]ethyl]benzamide
PubChem CID46455798
Molecular FormulaC20H24FN5O4S
Molecular Weight449.51 g/mol
Exact Mass449.15
IUPAC Name4-fluoro-N-[2-oxo-2-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylamino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H24FN5O4S/c21-17-6-4-16(5-7-17)20(28)24-15-19(27)23-9-14-31(29,30)26-12-10-25(11-13-26)18-3-1-2-8-22-18/h1-8H,9-15H2,(H,23,27)(H,24,28)
InChIKeyUWQJCGPBRMOFHT-UHFFFAOYSA-N
XLogP0.22
TPSA111.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[2-oxo-2-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylamino]ethyl]benzamide
CID 55692362
4-acetamido-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide
CID 47031694
2-(4-fluorophenoxy)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42438580
2-(2-chlorophenyl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide
CID 25285260
5-ethyl-1-(4-fluorophenyl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyrazole-4-carboxamide
CID 46455840
2-(2-ethoxyphenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide
CID 55838125
2-(pyridin-2-ylmethylsulfanyl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide
CID 55822727
4-methoxy-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42438917
3-(phenylcarbamoylamino)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]propanamide
CID 55963186
N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42438737
2-(3,4-dichlorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide
CID 46456245
1-oxido-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyridin-1-ium-2-carboxamide
CID 60512015

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-oxo-2-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylamino]ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-oxo-2-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylamino]ethyl]benzamide (CID 46455798) is 4-fluoro-N-[2-oxo-2-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylamino]ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-oxo-2-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylamino]ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-oxo-2-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylamino]ethyl]benzamide is O=C(CNC(=O)c1ccc(F)cc1)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 4-fluoro-N-[2-oxo-2-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylamino]ethyl]benzamide?
The InChIKey is UWQJCGPBRMOFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O4S/c21-17-6-4-16(5-7-17)20(28)24-15-19(27)23-9-14-31(29,30)26-12-10-25(11-13-26)18-3-1-2-8-22-18/h1-8H,9-15H2,(H,23,27)(H,24,28).
What are the key properties of 4-fluoro-N-[2-oxo-2-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylamino]ethyl]benzamide?
4-fluoro-N-[2-oxo-2-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylamino]ethyl]benzamide has a molecular weight of 449.51 g/mol, XLogP of 0.22, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-oxo-2-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylamino]ethyl]benzamide is sourced from PubChem (CID 46455798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).