2-(6-methyl-2-phenacylsulfanylpyrimidin-4-yl)sulfanylacetamide

C15H15N3O2S2 — CID 652313

IUPAC2-(6-methyl-2-phenacylsulfanylpyrimidin-4-yl)sulfanylacetamide
SMILESCc1cc(SCC(N)=O)nc(SCC(=O)c2ccccc2)n1
InChIInChI=1S/C15H15N3O2S2/c1-10-7-14(21-9-13(16)20)18-15(17-10)22-8-12(19)11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H2,16,20)
InChIKeyDAROBQBBWUPLNL-UHFFFAOYSA-N
MW333.44 g/mol
LogP2.34
Rot. Bonds7

About 2-(6-methyl-2-phenacylsulfanylpyrimidin-4-yl)sulfanylacetamide

2-(6-methyl-2-phenacylsulfanylpyrimidin-4-yl)sulfanylacetamide (PubChem CID 652313) has the molecular formula C15H15N3O2S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-(6-methyl-2-phenacylsulfanylpyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

Compound Name2-(6-methyl-2-phenacylsulfanylpyrimidin-4-yl)sulfanylacetamide
PubChem CID652313
Molecular FormulaC15H15N3O2S2
Molecular Weight333.44 g/mol
Exact Mass333.06
IUPAC Name2-(6-methyl-2-phenacylsulfanylpyrimidin-4-yl)sulfanylacetamide
SMILESCc1cc(SCC(N)=O)nc(SCC(=O)c2ccccc2)n1
InChIInChI=1S/C15H15N3O2S2/c1-10-7-14(21-9-13(16)20)18-15(17-10)22-8-12(19)11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H2,16,20)
InChIKeyDAROBQBBWUPLNL-UHFFFAOYSA-N
XLogP2.34
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2-phenacylsulfanylpyrimidin-4-yl)sulfanylacetamide?
The IUPAC name of 2-(6-methyl-2-phenacylsulfanylpyrimidin-4-yl)sulfanylacetamide (CID 652313) is 2-(6-methyl-2-phenacylsulfanylpyrimidin-4-yl)sulfanylacetamide.
What is the SMILES notation for 2-(6-methyl-2-phenacylsulfanylpyrimidin-4-yl)sulfanylacetamide?
The canonical SMILES for 2-(6-methyl-2-phenacylsulfanylpyrimidin-4-yl)sulfanylacetamide is Cc1cc(SCC(N)=O)nc(SCC(=O)c2ccccc2)n1.
What is the InChIKey of 2-(6-methyl-2-phenacylsulfanylpyrimidin-4-yl)sulfanylacetamide?
The InChIKey is DAROBQBBWUPLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S2/c1-10-7-14(21-9-13(16)20)18-15(17-10)22-8-12(19)11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H2,16,20).
What are the key properties of 2-(6-methyl-2-phenacylsulfanylpyrimidin-4-yl)sulfanylacetamide?
2-(6-methyl-2-phenacylsulfanylpyrimidin-4-yl)sulfanylacetamide has a molecular weight of 333.44 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-phenacylsulfanylpyrimidin-4-yl)sulfanylacetamide is sourced from PubChem (CID 652313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).