2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide

C19H17N3O4S — CID 135501382

IUPAC2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nc(O)cc(=O)n2-c2ccccc2)cc1
InChIInChI=1S/C19H17N3O4S/c1-26-15-9-7-13(8-10-15)20-17(24)12-27-19-21-16(23)11-18(25)22(19)14-5-3-2-4-6-14/h2-11,23H,12H2,1H3,(H,20,24)
InChIKeyQQPQCAVPXKASKQ-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.68
Rot. Bonds6

About 2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide

2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide (PubChem CID 135501382) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is 2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
PubChem CID135501382
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC Name2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nc(O)cc(=O)n2-c2ccccc2)cc1
InChIInChI=1S/C19H17N3O4S/c1-26-15-9-7-13(8-10-15)20-17(24)12-27-19-21-16(23)11-18(25)22(19)14-5-3-2-4-6-14/h2-11,23H,12H2,1H3,(H,20,24)
InChIKeyQQPQCAVPXKASKQ-UHFFFAOYSA-N
XLogP2.68
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide (CID 135501382) is 2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CSc2nc(O)cc(=O)n2-c2ccccc2)cc1.
What is the InChIKey of 2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide?
The InChIKey is QQPQCAVPXKASKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S/c1-26-15-9-7-13(8-10-15)20-17(24)12-27-19-21-16(23)11-18(25)22(19)14-5-3-2-4-6-14/h2-11,23H,12H2,1H3,(H,20,24).
What are the key properties of 2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide?
2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide has a molecular weight of 383.43 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 135501382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).