2-(4-methylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide

C17H15N3OS — CID 863146

IUPAC2-(4-methylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
SMILESCc1ccnc(SCC(=O)Nc2cccc3ccccc23)n1
InChIInChI=1S/C17H15N3OS/c1-12-9-10-18-17(19-12)22-11-16(21)20-15-8-4-6-13-5-2-3-7-14(13)15/h2-10H,11H2,1H3,(H,20,21)
InChIKeyJTXIPGZJNCOQEA-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.67
Rot. Bonds4

About 2-(4-methylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide

2-(4-methylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide (PubChem CID 863146) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-(4-methylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-(4-methylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
PubChem CID863146
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC Name2-(4-methylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
SMILESCc1ccnc(SCC(=O)Nc2cccc3ccccc23)n1
InChIInChI=1S/C17H15N3OS/c1-12-9-10-18-17(19-12)22-11-16(21)20-15-8-4-6-13-5-2-3-7-14(13)15/h2-10H,11H2,1H3,(H,20,21)
InChIKeyJTXIPGZJNCOQEA-UHFFFAOYSA-N
XLogP3.67
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]benzoate
CID 901165
N-methyl-3-[2-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]phenyl]propanamide
CID 131922657
2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide
CID 4821778
N-(2-aminophenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpropanamide
CID 62268023
3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylpropanamide
CID 851328
2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide
CID 6406858
2-[(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide
CID 967599
2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 7145516
N-(2,5-diethoxyphenyl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
CID 863167
2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-naphthalen-1-ylacetamide
CID 7183983
N-(3-chloro-2-methylphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 46519126
2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide
CID 7940407

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-(4-methylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide (CID 863146) is 2-(4-methylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-(4-methylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-(4-methylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide is Cc1ccnc(SCC(=O)Nc2cccc3ccccc23)n1.
What is the InChIKey of 2-(4-methylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide?
The InChIKey is JTXIPGZJNCOQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c1-12-9-10-18-17(19-12)22-11-16(21)20-15-8-4-6-13-5-2-3-7-14(13)15/h2-10H,11H2,1H3,(H,20,21).
What are the key properties of 2-(4-methylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide?
2-(4-methylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide has a molecular weight of 309.39 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 863146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).