N-naphthalen-1-yl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide

C19H19N3O2S — CID 135479063

IUPACN-naphthalen-1-yl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCCc1cc(=O)[nH]c(SCC(=O)Nc2cccc3ccccc23)n1
InChIInChI=1S/C19H19N3O2S/c1-2-6-14-11-17(23)22-19(20-14)25-12-18(24)21-16-10-5-8-13-7-3-4-9-15(13)16/h3-5,7-11H,2,6,12H2,1H3,(H,21,24)(H,20,22,23)
InChIKeyLWEBBQGVTUPTAT-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.61
Rot. Bonds6

About N-naphthalen-1-yl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide

N-naphthalen-1-yl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 135479063) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-naphthalen-1-yl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID135479063
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-naphthalen-1-yl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCCc1cc(=O)[nH]c(SCC(=O)Nc2cccc3ccccc23)n1
InChIInChI=1S/C19H19N3O2S/c1-2-6-14-11-17(23)22-19(20-14)25-12-18(24)21-16-10-5-8-13-7-3-4-9-15(13)16/h3-5,7-11H,2,6,12H2,1H3,(H,21,24)(H,20,22,23)
InChIKeyLWEBBQGVTUPTAT-UHFFFAOYSA-N
XLogP3.61
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-phenylphenyl)acetamide
CID 71600975
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-[(5-benzyl-4-hydroxy-6-methylpyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide
CID 135419136
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 135519911
2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 135525771
N-ethyl-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide
CID 135543861
2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 1307031
1-(3,4-dihydroquinolin-1(2H)-yl)-2-((4-hydroxy-6-methylpyrimidin-2-yl)thio)ethanone
CID 135408403
N-(4-methylphenyl)-2-[(4-oxo-6-propyl-1,4-dihydro-2-pyrimidinyl)thio]acetamide
CID 135408881

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-naphthalen-1-yl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 135479063) is N-naphthalen-1-yl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-naphthalen-1-yl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-naphthalen-1-yl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide is CCCc1cc(=O)[nH]c(SCC(=O)Nc2cccc3ccccc23)n1.
What is the InChIKey of N-naphthalen-1-yl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is LWEBBQGVTUPTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-2-6-14-11-17(23)22-19(20-14)25-12-18(24)21-16-10-5-8-13-7-3-4-9-15(13)16/h3-5,7-11H,2,6,12H2,1H3,(H,21,24)(H,20,22,23).
What are the key properties of N-naphthalen-1-yl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-naphthalen-1-yl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 353.45 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135479063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).