2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(3-methylsulfanylphenyl)acetamide

C14H15N3O3S — CID 39934079

IUPAC2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)Cn2ccc(=O)n(C)c2=O)c1
InChIInChI=1S/C14H15N3O3S/c1-16-13(19)6-7-17(14(16)20)9-12(18)15-10-4-3-5-11(8-10)21-2/h3-8H,9H2,1-2H3,(H,15,18)
InChIKeyNWPQTGJRQXNIJT-UHFFFAOYSA-N
MW305.36 g/mol
LogP0.91
Rot. Bonds4

About 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(3-methylsulfanylphenyl)acetamide

2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 39934079) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(3-methylsulfanylphenyl)acetamide
PubChem CID39934079
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)Cn2ccc(=O)n(C)c2=O)c1
InChIInChI=1S/C14H15N3O3S/c1-16-13(19)6-7-17(14(16)20)9-12(18)15-10-4-3-5-11(8-10)21-2/h3-8H,9H2,1-2H3,(H,15,18)
InChIKeyNWPQTGJRQXNIJT-UHFFFAOYSA-N
XLogP0.91
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 2640778
N-(3-methylsulfanylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 18084983
2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 16957033
N-(3-methylsulfanylphenyl)-2-sulfanylacetamide
CID 54336720
N-(3-methylsulfanylphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517378
2-butylsulfanyl-N-(3-methylsulfanylphenyl)acetamide
CID 112781325
2-(4-methylphenyl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide
CID 738709
2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 18592320
2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 51208453
2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 121063799
N-(2-hydroxy-5-methylphenyl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 60562073
2-isocyano-N-(3-methylsulfanylphenyl)acetamide
CID 108814742

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(3-methylsulfanylphenyl)acetamide (CID 39934079) is 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(3-methylsulfanylphenyl)acetamide is CSc1cccc(NC(=O)Cn2ccc(=O)n(C)c2=O)c1.
What is the InChIKey of 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is NWPQTGJRQXNIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-16-13(19)6-7-17(14(16)20)9-12(18)15-10-4-3-5-11(8-10)21-2/h3-8H,9H2,1-2H3,(H,15,18).
What are the key properties of 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(3-methylsulfanylphenyl)acetamide?
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 305.36 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 39934079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).