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

C14H16N4O5S — CID 46635132

IUPAC2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)Cn2ccc(=O)[nH]c2=O)cc1
InChIInChI=1S/C14H16N4O5S/c15-24(22,23)11-3-1-10(2-4-11)5-7-16-13(20)9-18-8-6-12(19)17-14(18)21/h1-4,6,8H,5,7,9H2,(H,16,20)(H2,15,22,23)(H,17,19,21)
InChIKeyKGUDYRYHHCBFOD-UHFFFAOYSA-N
MW352.37 g/mol
LogP-1.46
Rot. Bonds6

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

2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 46635132) has the molecular formula C14H16N4O5S and a molecular weight of 352.37 g/mol. Its IUPAC name is 2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID46635132
Molecular FormulaC14H16N4O5S
Molecular Weight352.37 g/mol
Exact Mass352.08
IUPAC Name2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)Cn2ccc(=O)[nH]c2=O)cc1
InChIInChI=1S/C14H16N4O5S/c15-24(22,23)11-3-1-10(2-4-11)5-7-16-13(20)9-18-8-6-12(19)17-14(18)21/h1-4,6,8H,5,7,9H2,(H,16,20)(H2,15,22,23)(H,17,19,21)
InChIKeyKGUDYRYHHCBFOD-UHFFFAOYSA-N
XLogP-1.46
TPSA144.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 5-1.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 46635132) is 2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is NS(=O)(=O)c1ccc(CCNC(=O)Cn2ccc(=O)[nH]c2=O)cc1.
What is the InChIKey of 2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is KGUDYRYHHCBFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O5S/c15-24(22,23)11-3-1-10(2-4-11)5-7-16-13(20)9-18-8-6-12(19)17-14(18)21/h1-4,6,8H,5,7,9H2,(H,16,20)(H2,15,22,23)(H,17,19,21).
What are the key properties of 2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 352.37 g/mol, XLogP of -1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 46635132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).