N-(4-acetylphenyl)-2-[(4-hydroxy-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide

C20H17N3O4S — CID 2229086

IUPACN-(4-acetylphenyl)-2-[(4-hydroxy-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCC(=O)c1ccc(NC(=O)CSc2nc(O)c(-c3ccccc3)c(=O)[nH]2)cc1
InChIInChI=1S/C20H17N3O4S/c1-12(24)13-7-9-15(10-8-13)21-16(25)11-28-20-22-18(26)17(19(27)23-20)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,21,25)(H2,22,23,26,27)
InChIKeyQZIYBNQPKPTWLX-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.08
Rot. Bonds6

About N-(4-acetylphenyl)-2-[(4-hydroxy-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide

N-(4-acetylphenyl)-2-[(4-hydroxy-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 2229086) has the molecular formula C20H17N3O4S and a molecular weight of 395.44 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[(4-hydroxy-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[(4-hydroxy-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID2229086
Molecular FormulaC20H17N3O4S
Molecular Weight395.44 g/mol
Exact Mass395.09
IUPAC NameN-(4-acetylphenyl)-2-[(4-hydroxy-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCC(=O)c1ccc(NC(=O)CSc2nc(O)c(-c3ccccc3)c(=O)[nH]2)cc1
InChIInChI=1S/C20H17N3O4S/c1-12(24)13-7-9-15(10-8-13)21-16(25)11-28-20-22-18(26)17(19(27)23-20)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,21,25)(H2,22,23,26,27)
InChIKeyQZIYBNQPKPTWLX-UHFFFAOYSA-N
XLogP3.08
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[(4-hydroxy-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[(4-hydroxy-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 2229086) is N-(4-acetylphenyl)-2-[(4-hydroxy-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[(4-hydroxy-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[(4-hydroxy-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide is CC(=O)c1ccc(NC(=O)CSc2nc(O)c(-c3ccccc3)c(=O)[nH]2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[(4-hydroxy-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is QZIYBNQPKPTWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4S/c1-12(24)13-7-9-15(10-8-13)21-16(25)11-28-20-22-18(26)17(19(27)23-20)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,21,25)(H2,22,23,26,27).
What are the key properties of N-(4-acetylphenyl)-2-[(4-hydroxy-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-(4-acetylphenyl)-2-[(4-hydroxy-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 395.44 g/mol, XLogP of 3.08, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[(4-hydroxy-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2229086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).