2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[(4-fluorophenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C21H20F2N4O5S — CID 162672215

IUPAC2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[(4-fluorophenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCN(Cc2ccc(F)cc2)C(=O)Cn2cc(F)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C21H20F2N4O5S/c22-16-5-1-15(2-6-16)11-26(10-9-14-3-7-17(8-4-14)33(24,31)32)19(28)13-27-12-18(23)20(29)25-21(27)30/h1-8,12H,9-11,13H2,(H2,24,31,32)(H,25,29,30)
InChIKeyQVDXBJPUGWRGSM-UHFFFAOYSA-N
MW478.48 g/mol
LogP0.73
Rot. Bonds8

About 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[(4-fluorophenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[(4-fluorophenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 162672215) has the molecular formula C21H20F2N4O5S and a molecular weight of 478.48 g/mol. Its IUPAC name is 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[(4-fluorophenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[(4-fluorophenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID162672215
Molecular FormulaC21H20F2N4O5S
Molecular Weight478.48 g/mol
Exact Mass478.11
IUPAC Name2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[(4-fluorophenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCN(Cc2ccc(F)cc2)C(=O)Cn2cc(F)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C21H20F2N4O5S/c22-16-5-1-15(2-6-16)11-26(10-9-14-3-7-17(8-4-14)33(24,31)32)19(28)13-27-12-18(23)20(29)25-21(27)30/h1-8,12H,9-11,13H2,(H2,24,31,32)(H,25,29,30)
InChIKeyQVDXBJPUGWRGSM-UHFFFAOYSA-N
XLogP0.73
TPSA135.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.48
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[(4-fluorophenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide with MolForge

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Related Compounds

N-(6-Amino-1-Benzyl-2,4-Dioxo-1,2,3,4-Tetrahydropyrimidin-5-Yl)-4-Fluoro-N-Methylbenzenesulfonamide
CID 66553090
N-(6-Amino-1-Benzyl-2,4-Dioxo-1,2,3,4-Tetrahydropyrimidin-5-Yl)-N-Methylbenzenesulfonamide
CID 66553086
N-benzyl-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 162668326
N-[(4-cyanophenyl)methyl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 162674957
N~2~-benzyl-N~1~-[2-(1-cyclohexen-1-yl)ethyl]-N~2~-[(4-fluorophenyl)sulfonyl]glycinamide
CID 2301453
N-(6-Amino-1-Benzyl-2,4-Dioxo-1,2,3,4-Tetrahydropyrimidin-5-Yl)-N,3-Dimethylbenzenesulfonamide
CID 66553091
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethylbenzenesulfonamide
CID 71463473
N-[2-(1-cyclohexen-1-yl)ethyl]-2-{(2-fluorobenzyl)[(4-methylphenyl)sulfonyl]amino}acetamide
CID 1815035
N-[1-(4-Fluoro-benzyl)-5-methyl-2-oxo-1,2-dihydro-pyridin-3-yl]-4-methyl-benzenesulfonamide
CID 3231716
N-(2-((4-fluorobenzyl)amino)-2-oxoethyl)-4-methyl-N-tosylpiperazine-1-carboxamide
CID 18580945
2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 46635132
2-(2,4-dioxopyrimidin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 145957307

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[(4-fluorophenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[(4-fluorophenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 162672215) is 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[(4-fluorophenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[(4-fluorophenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[(4-fluorophenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is NS(=O)(=O)c1ccc(CCN(Cc2ccc(F)cc2)C(=O)Cn2cc(F)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[(4-fluorophenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is QVDXBJPUGWRGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O5S/c22-16-5-1-15(2-6-16)11-26(10-9-14-3-7-17(8-4-14)33(24,31)32)19(28)13-27-12-18(23)20(29)25-21(27)30/h1-8,12H,9-11,13H2,(H2,24,31,32)(H,25,29,30).
What are the key properties of 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[(4-fluorophenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[(4-fluorophenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 478.48 g/mol, XLogP of 0.73, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[(4-fluorophenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 162672215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).