2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide

C14H17N3OS2 — CID 42990207

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
SMILESCc1cc(C)nc(SCC(=O)NC(C)c2cccs2)n1
InChIInChI=1S/C14H17N3OS2/c1-9-7-10(2)16-14(15-9)20-8-13(18)17-11(3)12-5-4-6-19-12/h4-7,11H,8H2,1-3H3,(H,17,18)
InChIKeyCODLCFDKKUEPHH-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.12
Rot. Bonds5

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide (PubChem CID 42990207) has the molecular formula C14H17N3OS2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
PubChem CID42990207
Molecular FormulaC14H17N3OS2
Molecular Weight307.44 g/mol
Exact Mass307.08
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
SMILESCc1cc(C)nc(SCC(=O)NC(C)c2cccs2)n1
InChIInChI=1S/C14H17N3OS2/c1-9-7-10(2)16-14(15-9)20-8-13(18)17-11(3)12-5-4-6-19-12/h4-7,11H,8H2,1-3H3,(H,17,18)
InChIKeyCODLCFDKKUEPHH-UHFFFAOYSA-N
XLogP3.12
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-thiophen-2-ylethyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 40682887
2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 40819742
2-(4-methoxyphenyl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
CID 78791455
2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 7501191
2-(2-amino-4-methylphenyl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
CID 43302605
2-(5-amino-2-methylphenyl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
CID 79140976
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide
CID 16560439
2-[(2,6-dimethyl-4-pyridinyl)oxy]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 99621957
N-[(1S)-1-(3-acetamidophenyl)ethyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 37466921
[2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate
CID 46606399
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(1-thiophen-2-ylethyl)acetamide
CID 16539608
2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(1-thiophen-2-ylethyl)acetamide
CID 78766128

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide (CID 42990207) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide is Cc1cc(C)nc(SCC(=O)NC(C)c2cccs2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide?
The InChIKey is CODLCFDKKUEPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS2/c1-9-7-10(2)16-14(15-9)20-8-13(18)17-11(3)12-5-4-6-19-12/h4-7,11H,8H2,1-3H3,(H,17,18).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide has a molecular weight of 307.44 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 42990207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).