2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C21H25N3O2S — CID 71898763

IUPAC2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCC(=O)c1c(C)nc(C)nc1SCC(=O)N(C)C1CCCc2ccccc21
InChIInChI=1S/C21H25N3O2S/c1-13-20(14(2)25)21(23-15(3)22-13)27-12-19(26)24(4)18-11-7-9-16-8-5-6-10-17(16)18/h5-6,8,10,18H,7,9,11-12H2,1-4H3
InChIKeyCTKFHBQDVVAPAE-UHFFFAOYSA-N
MW383.52 g/mol
LogP3.92
Rot. Bonds5

About 2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 71898763) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is 2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID71898763
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC Name2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCC(=O)c1c(C)nc(C)nc1SCC(=O)N(C)C1CCCc2ccccc21
InChIInChI=1S/C21H25N3O2S/c1-13-20(14(2)25)21(23-15(3)22-13)27-12-19(26)24(4)18-11-7-9-16-8-5-6-10-17(16)18/h5-6,8,10,18H,7,9,11-12H2,1-4H3
InChIKeyCTKFHBQDVVAPAE-UHFFFAOYSA-N
XLogP3.92
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8852681
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 51190736
N-methyl-2-(1-methylimidazol-2-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 51183728
2-[(5-amino-4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 134034430
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 42925664
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9362210
2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9456069
2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 55547186
N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8686002
N-methyl-2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 42942879
N-methyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 51280562
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 39709988

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 71898763) is 2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is CC(=O)c1c(C)nc(C)nc1SCC(=O)N(C)C1CCCc2ccccc21.
What is the InChIKey of 2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is CTKFHBQDVVAPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-13-20(14(2)25)21(23-15(3)22-13)27-12-19(26)24(4)18-11-7-9-16-8-5-6-10-17(16)18/h5-6,8,10,18H,7,9,11-12H2,1-4H3.
What are the key properties of 2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 383.52 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 71898763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).