2-[(5-acetamido-4,6-dioxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide

C15H16N4O5S — CID 648719

IUPAC2-[(5-acetamido-4,6-dioxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CSC1=NC(=O)C(NC(C)=O)C(=O)N1
InChIInChI=1S/C15H16N4O5S/c1-8(20)16-12-13(22)18-15(19-14(12)23)25-7-11(21)17-9-5-3-4-6-10(9)24-2/h3-6,12H,7H2,1-2H3,(H,16,20)(H,17,21)(H,18,19,22,23)
InChIKeyFXHGLBOEFVELMK-UHFFFAOYSA-N
MW364.38 g/mol
LogP-0.12
Rot. Bonds5

About 2-[(5-acetamido-4,6-dioxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide

2-[(5-acetamido-4,6-dioxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide (PubChem CID 648719) has the molecular formula C15H16N4O5S and a molecular weight of 364.38 g/mol. Its IUPAC name is 2-[(5-acetamido-4,6-dioxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-acetamido-4,6-dioxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
PubChem CID648719
Molecular FormulaC15H16N4O5S
Molecular Weight364.38 g/mol
Exact Mass364.08
IUPAC Name2-[(5-acetamido-4,6-dioxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CSC1=NC(=O)C(NC(C)=O)C(=O)N1
InChIInChI=1S/C15H16N4O5S/c1-8(20)16-12-13(22)18-15(19-14(12)23)25-7-11(21)17-9-5-3-4-6-10(9)24-2/h3-6,12H,7H2,1-2H3,(H,16,20)(H,17,21)(H,18,19,22,23)
InChIKeyFXHGLBOEFVELMK-UHFFFAOYSA-N
XLogP-0.12
TPSA125.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-acetamido-4,6-dioxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[(5-acetamido-4,6-dioxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide (CID 648719) is 2-[(5-acetamido-4,6-dioxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(5-acetamido-4,6-dioxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(5-acetamido-4,6-dioxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CSC1=NC(=O)C(NC(C)=O)C(=O)N1.
What is the InChIKey of 2-[(5-acetamido-4,6-dioxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is FXHGLBOEFVELMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O5S/c1-8(20)16-12-13(22)18-15(19-14(12)23)25-7-11(21)17-9-5-3-4-6-10(9)24-2/h3-6,12H,7H2,1-2H3,(H,16,20)(H,17,21)(H,18,19,22,23).
What are the key properties of 2-[(5-acetamido-4,6-dioxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide?
2-[(5-acetamido-4,6-dioxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 364.38 g/mol, XLogP of -0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-acetamido-4,6-dioxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 648719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).