2-[4-hydroxy-1-(2-methylphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-naphthalen-1-ylacetamide

C23H19N3O3S — CID 135439312

IUPAC2-[4-hydroxy-1-(2-methylphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-naphthalen-1-ylacetamide
SMILESCc1ccccc1-n1c(SCC(=O)Nc2cccc3ccccc23)nc(O)cc1=O
InChIInChI=1S/C23H19N3O3S/c1-15-7-2-5-12-19(15)26-22(29)13-20(27)25-23(26)30-14-21(28)24-18-11-6-9-16-8-3-4-10-17(16)18/h2-13,27H,14H2,1H3,(H,24,28)
InChIKeyLEKYEVQDJKHBOD-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.13
Rot. Bonds5

About 2-[4-hydroxy-1-(2-methylphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-naphthalen-1-ylacetamide

2-[4-hydroxy-1-(2-methylphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-naphthalen-1-ylacetamide (PubChem CID 135439312) has the molecular formula C23H19N3O3S and a molecular weight of 417.49 g/mol. Its IUPAC name is 2-[4-hydroxy-1-(2-methylphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[4-hydroxy-1-(2-methylphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-naphthalen-1-ylacetamide
PubChem CID135439312
Molecular FormulaC23H19N3O3S
Molecular Weight417.49 g/mol
Exact Mass417.11
IUPAC Name2-[4-hydroxy-1-(2-methylphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-naphthalen-1-ylacetamide
SMILESCc1ccccc1-n1c(SCC(=O)Nc2cccc3ccccc23)nc(O)cc1=O
InChIInChI=1S/C23H19N3O3S/c1-15-7-2-5-12-19(15)26-22(29)13-20(27)25-23(26)30-14-21(28)24-18-11-6-9-16-8-3-4-10-17(16)18/h2-13,27H,14H2,1H3,(H,24,28)
InChIKeyLEKYEVQDJKHBOD-UHFFFAOYSA-N
XLogP4.13
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-Hydroxy-pyrimidin-2-ylsulfanyl)-N-naphthalen-1-yl-acetamide
CID 860083
2-(4-Methoxy-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfanyl)-N-naphthalen-1-yl-propionamide
CID 6501406
2-(4-Methoxy-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfanyl)-N-naphthalen-2-yl-propionamide
CID 6501425
2-(6-Methyl-5-oxo-4,5-dihydro-[1,2,4]triazin-3-ylsulfanyl)-N-naphthalen-1-yl-butyramide
CID 135403906
2-[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]-N-(naphthalen-1-yl)acetamide
CID 135479063
2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 1307031
2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide
CID 1379557
2-[3-(3-methylphenyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanylacetamide
CID 1212327
1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[(4,6-dihydroxypyrimidin-2-yl)sulfanyl]ethanone
CID 1283412
N-naphthalen-1-yl-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7256609
2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 7259110
2-[(4-hydroxy-5-methyl-6-oxo-1-phenyl-1,6-dihydro-2-pyrimidinyl)thio]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 135399402

Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-1-(2-methylphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[4-hydroxy-1-(2-methylphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-naphthalen-1-ylacetamide (CID 135439312) is 2-[4-hydroxy-1-(2-methylphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[4-hydroxy-1-(2-methylphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[4-hydroxy-1-(2-methylphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-naphthalen-1-ylacetamide is Cc1ccccc1-n1c(SCC(=O)Nc2cccc3ccccc23)nc(O)cc1=O.
What is the InChIKey of 2-[4-hydroxy-1-(2-methylphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-naphthalen-1-ylacetamide?
The InChIKey is LEKYEVQDJKHBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3S/c1-15-7-2-5-12-19(15)26-22(29)13-20(27)25-23(26)30-14-21(28)24-18-11-6-9-16-8-3-4-10-17(16)18/h2-13,27H,14H2,1H3,(H,24,28).
What are the key properties of 2-[4-hydroxy-1-(2-methylphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-naphthalen-1-ylacetamide?
2-[4-hydroxy-1-(2-methylphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-naphthalen-1-ylacetamide has a molecular weight of 417.49 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-1-(2-methylphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 135439312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).