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

C13H13FN4O5S — CID 162674398

IUPAC2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)Cn2cc(F)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C13H13FN4O5S/c14-10-6-18(13(21)17-12(10)20)7-11(19)16-5-8-1-3-9(4-2-8)24(15,22)23/h1-4,6H,5,7H2,(H,16,19)(H2,15,22,23)(H,17,20,21)
InChIKeyQKRVPIRSSDQSTA-UHFFFAOYSA-N
MW356.34 g/mol
LogP-1.36
Rot. Bonds5

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

2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide (PubChem CID 162674398) has the molecular formula C13H13FN4O5S and a molecular weight of 356.34 g/mol. Its IUPAC name is 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
PubChem CID162674398
Molecular FormulaC13H13FN4O5S
Molecular Weight356.34 g/mol
Exact Mass356.06
IUPAC Name2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)Cn2cc(F)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C13H13FN4O5S/c14-10-6-18(13(21)17-12(10)20)7-11(19)16-5-8-1-3-9(4-2-8)24(15,22)23/h1-4,6H,5,7H2,(H,16,19)(H2,15,22,23)(H,17,20,21)
InChIKeyQKRVPIRSSDQSTA-UHFFFAOYSA-N
XLogP-1.36
TPSA144.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 5-1.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(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
2-(N-Methyl-guanidino)-N-(4-sulfamoyl-benzyl)-acetamide
CID 10637879
2-Amino-N-[(4-sulfamoyl-benzylcarbamoyl)-methyl]-acetamide
CID 10756624
2-Methylamino-N-(4-sulfamoyl-benzyl)-acetamide
CID 10825041
2-amino-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 10847811
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

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The IUPAC name of 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide (CID 162674398) is 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The canonical SMILES for 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide is NS(=O)(=O)c1ccc(CNC(=O)Cn2cc(F)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The InChIKey is QKRVPIRSSDQSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O5S/c14-10-6-18(13(21)17-12(10)20)7-11(19)16-5-8-1-3-9(4-2-8)24(15,22)23/h1-4,6H,5,7H2,(H,16,19)(H2,15,22,23)(H,17,20,21).
What are the key properties of 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide has a molecular weight of 356.34 g/mol, XLogP of -1.36, 5 rotatable bonds, 3 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-sulfamoylphenyl)methyl]acetamide is sourced from PubChem (CID 162674398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).