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

C17H15N3O2S — CID 7183983

IUPAC2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-naphthalen-1-ylacetamide
SMILESCc1cc(SCC(=O)Nc2cccc3ccccc23)nc(=O)[nH]1
InChIInChI=1S/C17H15N3O2S/c1-11-9-16(20-17(22)18-11)23-10-15(21)19-14-8-4-6-12-5-2-3-7-13(12)14/h2-9H,10H2,1H3,(H,19,21)(H,18,20,22)
InChIKeyNNKURIXSOCIRFW-UHFFFAOYSA-N
MW325.39 g/mol
LogP2.96
Rot. Bonds4

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

2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-naphthalen-1-ylacetamide (PubChem CID 7183983) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-naphthalen-1-ylacetamide
PubChem CID7183983
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-naphthalen-1-ylacetamide
SMILESCc1cc(SCC(=O)Nc2cccc3ccccc23)nc(=O)[nH]1
InChIInChI=1S/C17H15N3O2S/c1-11-9-16(20-17(22)18-11)23-10-15(21)19-14-8-4-6-12-5-2-3-7-13(12)14/h2-9H,10H2,1H3,(H,19,21)(H,18,20,22)
InChIKeyNNKURIXSOCIRFW-UHFFFAOYSA-N
XLogP2.96
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylphenyl)-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide
CID 7183885
N-(4-ethylphenyl)-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide
CID 7183888
2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-(3-nitrophenyl)acetamide
CID 7183960
N-(5-chloro-2-methoxyphenyl)-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide
CID 7184001
N-naphthalen-1-yl-2-(2H-triazol-4-ylsulfanyl)acetamide
CID 6492812
2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide
CID 135713676
2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 7145516
2-(4-methylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 863146
2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide
CID 2223696
N-naphthalen-1-yl-2-[(7-oxo-5-propan-2-yl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
CID 136637081
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 40529800
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide
CID 1399536

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-naphthalen-1-ylacetamide (CID 7183983) is 2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-naphthalen-1-ylacetamide is Cc1cc(SCC(=O)Nc2cccc3ccccc23)nc(=O)[nH]1.
What is the InChIKey of 2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-naphthalen-1-ylacetamide?
The InChIKey is NNKURIXSOCIRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-11-9-16(20-17(22)18-11)23-10-15(21)19-14-8-4-6-12-5-2-3-7-13(12)14/h2-9H,10H2,1H3,(H,19,21)(H,18,20,22).
What are the key properties of 2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-naphthalen-1-ylacetamide?
2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-naphthalen-1-ylacetamide has a molecular weight of 325.39 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 7183983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).