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

C18H15N3O3S — CID 135408913

IUPAC2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-phenylacetamide
SMILESO=C(CSc1nc(O)cc(=O)n1-c1ccccc1)Nc1ccccc1
InChIInChI=1S/C18H15N3O3S/c22-15-11-17(24)21(14-9-5-2-6-10-14)18(20-15)25-12-16(23)19-13-7-3-1-4-8-13/h1-11,22H,12H2,(H,19,23)
InChIKeyXBQGNDKCPUFBHD-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.67
Rot. Bonds5

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

2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-phenylacetamide (PubChem CID 135408913) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is 2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-phenylacetamide
PubChem CID135408913
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC Name2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-phenylacetamide
SMILESO=C(CSc1nc(O)cc(=O)n1-c1ccccc1)Nc1ccccc1
InChIInChI=1S/C18H15N3O3S/c22-15-11-17(24)21(14-9-5-2-6-10-14)18(20-15)25-12-16(23)19-13-7-3-1-4-8-13/h1-11,22H,12H2,(H,19,23)
InChIKeyXBQGNDKCPUFBHD-UHFFFAOYSA-N
XLogP2.67
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-hydroxy-1-(4-methylphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 135427541
2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-phenylacetamide
CID 135431911
6-hydroxy-2-phenacylsulfanyl-3-phenylpyrimidin-4-one
CID 135402231
N-(4-chlorophenyl)-2-(4-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide
CID 4656952
2-ethylsulfanyl-6-hydroxy-3-phenylpyrimidin-4-one
CID 135402235
N-benzhydryl-2-[1-(4-fluorophenyl)-4-hydroxy-6-oxopyrimidin-2-yl]sulfanylacetamide
CID 137118905
N-(4-chlorophenyl)-2-[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide
CID 135436002
N-(4-acetamidophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 4543308
2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
CID 788503
N-naphthalen-2-yl-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 4666942
N-(4-acetamidophenyl)-2-(7-chloro-4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 2084367
2-[[5-[2-[5-(2-anilino-2-oxoethyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]-1,2-dihydroxyethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 4675792

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-phenylacetamide?
The IUPAC name of 2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-phenylacetamide (CID 135408913) is 2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-phenylacetamide is O=C(CSc1nc(O)cc(=O)n1-c1ccccc1)Nc1ccccc1.
What is the InChIKey of 2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-phenylacetamide?
The InChIKey is XBQGNDKCPUFBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S/c22-15-11-17(24)21(14-9-5-2-6-10-14)18(20-15)25-12-16(23)19-13-7-3-1-4-8-13/h1-11,22H,12H2,(H,19,23).
What are the key properties of 2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-phenylacetamide?
2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-phenylacetamide has a molecular weight of 353.40 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-phenylacetamide is sourced from PubChem (CID 135408913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).