N-(4-acetylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide

C17H19N3O2S — CID 2086060

IUPACN-(4-acetylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCC(=O)c1ccc(NC(=O)CSc2nc(C)c(C)c(C)n2)cc1
InChIInChI=1S/C17H19N3O2S/c1-10-11(2)18-17(19-12(10)3)23-9-16(22)20-15-7-5-14(6-8-15)13(4)21/h5-8H,9H2,1-4H3,(H,20,22)
InChIKeyXJKKFVWSCMNDHV-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.34
Rot. Bonds5

About N-(4-acetylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide

N-(4-acetylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 2086060) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
PubChem CID2086060
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-(4-acetylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCC(=O)c1ccc(NC(=O)CSc2nc(C)c(C)c(C)n2)cc1
InChIInChI=1S/C17H19N3O2S/c1-10-11(2)18-17(19-12(10)3)23-9-16(22)20-15-7-5-14(6-8-15)13(4)21/h5-8H,9H2,1-4H3,(H,20,22)
InChIKeyXJKKFVWSCMNDHV-UHFFFAOYSA-N
XLogP3.34
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-Difluoro-phenyl)-2-(4,6-dimethyl-pyrimidin-2-ylsulfanyl)-ethanone
CID 694586
1-[4-[(6-Methyl-2-methylsulfanyl-5-prop-2-enylpyrimidin-4-yl)amino]phenyl]ethanone
CID 789775
1-(3,4-Dimethyl-phenyl)-2-(4,6-dimethyl-pyrimidin-2-ylsulfanyl)-ethanone
CID 784992
N-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylmethyl]benzamide
CID 2392581
1-{4-[(4,6-Dimethyl-pyrimidin-2-yl)-ethyl-amino]-3-methylsulfanyl-phenyl}-ethanone
CID 10686834
2-[6-Methyl-2-(2-oxo-2-phenyl-ethylsulfanyl)-pyrimidin-4-ylsulfanyl]-acetamide
CID 652313
2-(4-Methyl-6-piperidin-1-yl-pyrimidin-2-ylsulfanyl)-1-phenyl-ethanone
CID 653296
3-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-N-(2-methylphenyl)propanamide
CID 851325
N-(4-methylphenyl)-4-{[(4-methyl-2-pyrimidinyl)sulfanyl]methyl}benzamide
CID 851616
2-(4-Methyl-6-pyrrolidin-1-yl-pyrimidin-2-ylsulfanyl)-1-phenyl-ethanone
CID 865548
N-(4-Acetyl-phenyl)-2-(2-cyclopropyl-quinazolin-4-ylsulfanyl)-acetamide
CID 1435055
N'-{[(4,6-dimethyl-2-pyrimidinyl)thio]acetyl}-2-methylbenzohydrazide
CID 1519951

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide (CID 2086060) is N-(4-acetylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide is CC(=O)c1ccc(NC(=O)CSc2nc(C)c(C)c(C)n2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is XJKKFVWSCMNDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-10-11(2)18-17(19-12(10)3)23-9-16(22)20-15-7-5-14(6-8-15)13(4)21/h5-8H,9H2,1-4H3,(H,20,22).
What are the key properties of N-(4-acetylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
N-(4-acetylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 329.43 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 2086060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).