2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[1-(4-ethylphenyl)ethyl]acetamide

C18H23N3OS — CID 46481133

IUPAC2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[1-(4-ethylphenyl)ethyl]acetamide
SMILESCCc1ccc(C(C)NC(=O)CSc2cc(C)nc(C)n2)cc1
InChIInChI=1S/C18H23N3OS/c1-5-15-6-8-16(9-7-15)13(3)20-17(22)11-23-18-10-12(2)19-14(4)21-18/h6-10,13H,5,11H2,1-4H3,(H,20,22)
InChIKeyMZJXZRICTODUHA-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.63
Rot. Bonds6

About 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[1-(4-ethylphenyl)ethyl]acetamide

2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[1-(4-ethylphenyl)ethyl]acetamide (PubChem CID 46481133) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[1-(4-ethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[1-(4-ethylphenyl)ethyl]acetamide
PubChem CID46481133
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[1-(4-ethylphenyl)ethyl]acetamide
SMILESCCc1ccc(C(C)NC(=O)CSc2cc(C)nc(C)n2)cc1
InChIInChI=1S/C18H23N3OS/c1-5-15-6-8-16(9-7-15)13(3)20-17(22)11-23-18-10-12(2)19-14(4)21-18/h6-10,13H,5,11H2,1-4H3,(H,20,22)
InChIKeyMZJXZRICTODUHA-UHFFFAOYSA-N
XLogP3.63
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 135671587
N-benzyl-2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetamide
CID 23611311
N-[(1R)-1-(4-ethylphenyl)ethyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7722874
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 8632074
N-[1-(4-ethylphenyl)ethyl]-3-oxobutanamide
CID 54896208
3-[1-(4-ethylphenyl)ethylamino]-3-oxopropanoic acid
CID 55049684
2-[[4-(2,5-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 112762229
N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 100609945
N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 25332013
2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 7169591
2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 40819742
2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 18287729

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[1-(4-ethylphenyl)ethyl]acetamide?
The IUPAC name of 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[1-(4-ethylphenyl)ethyl]acetamide (CID 46481133) is 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[1-(4-ethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[1-(4-ethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[1-(4-ethylphenyl)ethyl]acetamide is CCc1ccc(C(C)NC(=O)CSc2cc(C)nc(C)n2)cc1.
What is the InChIKey of 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[1-(4-ethylphenyl)ethyl]acetamide?
The InChIKey is MZJXZRICTODUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-5-15-6-8-16(9-7-15)13(3)20-17(22)11-23-18-10-12(2)19-14(4)21-18/h6-10,13H,5,11H2,1-4H3,(H,20,22).
What are the key properties of 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[1-(4-ethylphenyl)ethyl]acetamide?
2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[1-(4-ethylphenyl)ethyl]acetamide has a molecular weight of 329.47 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[1-(4-ethylphenyl)ethyl]acetamide is sourced from PubChem (CID 46481133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).