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

C14H15FN4O5S — CID 162672949

IUPAC2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)Cn2cc(F)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C14H15FN4O5S/c15-11-7-19(14(22)18-13(11)21)8-12(20)17-6-5-9-1-3-10(4-2-9)25(16,23)24/h1-4,7H,5-6,8H2,(H,17,20)(H2,16,23,24)(H,18,21,22)
InChIKeyVDJUNGDXRBYHHQ-UHFFFAOYSA-N
MW370.36 g/mol
LogP-1.32
Rot. Bonds6

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

2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 162672949) has the molecular formula C14H15FN4O5S and a molecular weight of 370.36 g/mol. Its IUPAC name is 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID162672949
Molecular FormulaC14H15FN4O5S
Molecular Weight370.36 g/mol
Exact Mass370.07
IUPAC Name2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)Cn2cc(F)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C14H15FN4O5S/c15-11-7-19(14(22)18-13(11)21)8-12(20)17-6-5-9-1-3-10(4-2-9)25(16,23)24/h1-4,7H,5-6,8H2,(H,17,20)(H2,16,23,24)(H,18,21,22)
InChIKeyVDJUNGDXRBYHHQ-UHFFFAOYSA-N
XLogP-1.32
TPSA144.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 162672949) is 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is NS(=O)(=O)c1ccc(CCNC(=O)Cn2cc(F)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is VDJUNGDXRBYHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O5S/c15-11-7-19(14(22)18-13(11)21)8-12(20)17-6-5-9-1-3-10(4-2-9)25(16,23)24/h1-4,7H,5-6,8H2,(H,17,20)(H2,16,23,24)(H,18,21,22).
What are the key properties of 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 370.36 g/mol, XLogP of -1.32, 6 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-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 162672949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).