2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2-phenoxyethyl)acetamide

C20H27N3O2S — CID 17495105

IUPAC2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2-phenoxyethyl)acetamide
SMILESCc1nc(SCC(=O)NCCOc2ccccc2)n(C2CCCC2)c1C
InChIInChI=1S/C20H27N3O2S/c1-15-16(2)23(17-8-6-7-9-17)20(22-15)26-14-19(24)21-12-13-25-18-10-4-3-5-11-18/h3-5,10-11,17H,6-9,12-14H2,1-2H3,(H,21,24)
InChIKeyUVQFDQVQDQVJEH-UHFFFAOYSA-N
MW373.52 g/mol
LogP3.90
Rot. Bonds8

About 2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2-phenoxyethyl)acetamide

2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2-phenoxyethyl)acetamide (PubChem CID 17495105) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is 2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2-phenoxyethyl)acetamide.

Molecular Properties

Compound Name2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2-phenoxyethyl)acetamide
PubChem CID17495105
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2-phenoxyethyl)acetamide
SMILESCc1nc(SCC(=O)NCCOc2ccccc2)n(C2CCCC2)c1C
InChIInChI=1S/C20H27N3O2S/c1-15-16(2)23(17-8-6-7-9-17)20(22-15)26-14-19(24)21-12-13-25-18-10-4-3-5-11-18/h3-5,10-11,17H,6-9,12-14H2,1-2H3,(H,21,24)
InChIKeyUVQFDQVQDQVJEH-UHFFFAOYSA-N
XLogP3.90
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.90
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

2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-phenoxyethyl)acetamide
CID 17481207
2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 17458015
2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 40657001
2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 46811169
N-(2-phenoxyethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 8535303
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 38573156
2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide
CID 51190971
4-[[2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 7492618
2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 7492141
N-[2-(4-chlorophenoxy)ethyl]-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8631504
2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenoxyethyl)acetamide
CID 40663614
N-benzyl-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-methylacetamide
CID 55375083

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2-phenoxyethyl)acetamide?
The IUPAC name of 2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2-phenoxyethyl)acetamide (CID 17495105) is 2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2-phenoxyethyl)acetamide.
What is the SMILES notation for 2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2-phenoxyethyl)acetamide?
The canonical SMILES for 2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2-phenoxyethyl)acetamide is Cc1nc(SCC(=O)NCCOc2ccccc2)n(C2CCCC2)c1C.
What is the InChIKey of 2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2-phenoxyethyl)acetamide?
The InChIKey is UVQFDQVQDQVJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-15-16(2)23(17-8-6-7-9-17)20(22-15)26-14-19(24)21-12-13-25-18-10-4-3-5-11-18/h3-5,10-11,17H,6-9,12-14H2,1-2H3,(H,21,24).
What are the key properties of 2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2-phenoxyethyl)acetamide?
2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2-phenoxyethyl)acetamide has a molecular weight of 373.52 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2-phenoxyethyl)acetamide is sourced from PubChem (CID 17495105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).