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

C17H21N3O2S — CID 38572750

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]acetamide
SMILESCc1ccc(OCCNC(=O)CSc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C17H21N3O2S/c1-12-4-6-15(7-5-12)22-9-8-18-16(21)11-23-17-19-13(2)10-14(3)20-17/h4-7,10H,8-9,11H2,1-3H3,(H,18,21)
InChIKeyFVRMPKKXETYKJD-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.69
Rot. Bonds7

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

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]acetamide (PubChem CID 38572750) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]acetamide
PubChem CID38572750
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]acetamide
SMILESCc1ccc(OCCNC(=O)CSc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C17H21N3O2S/c1-12-4-6-15(7-5-12)22-9-8-18-16(21)11-23-17-19-13(2)10-14(3)20-17/h4-7,10H,8-9,11H2,1-3H3,(H,18,21)
InChIKeyFVRMPKKXETYKJD-UHFFFAOYSA-N
XLogP2.69
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-phenoxyethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 8535303
N-[2-(4-tert-butylphenoxy)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 9202382
N-[2-(4-methylphenoxy)ethyl]-2-(4-methylphenyl)acetamide
CID 40724453
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide
CID 39509675
2-(3,4-dimethylphenyl)sulfanyl-N-(2-phenoxyethyl)acetamide
CID 26579562
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(6-methoxynaphthalen-2-yl)methyl]acetamide
CID 30307528
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide
CID 47095842
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 38573156
N-[2-(4-tert-butylphenoxy)ethyl]-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 8581995
N-[2-(4-methylphenoxy)ethyl]pentanamide
CID 19174784
4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethoxy]benzoic acid
CID 62304780
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 46532633

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]acetamide (CID 38572750) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]acetamide is Cc1ccc(OCCNC(=O)CSc2nc(C)cc(C)n2)cc1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]acetamide?
The InChIKey is FVRMPKKXETYKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-12-4-6-15(7-5-12)22-9-8-18-16(21)11-23-17-19-13(2)10-14(3)20-17/h4-7,10H,8-9,11H2,1-3H3,(H,18,21).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]acetamide has a molecular weight of 331.44 g/mol, XLogP of 2.69, 7 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-[2-(4-methylphenoxy)ethyl]acetamide is sourced from PubChem (CID 38572750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).