2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-phenoxyethyl)acetamide

C19H27N3O2S — CID 17481207

IUPAC2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-phenoxyethyl)acetamide
SMILESCc1nc(SCC(=O)NCCOc2ccccc2)n(CC(C)C)c1C
InChIInChI=1S/C19H27N3O2S/c1-14(2)12-22-16(4)15(3)21-19(22)25-13-18(23)20-10-11-24-17-8-6-5-7-9-17/h5-9,14H,10-13H2,1-4H3,(H,20,23)
InChIKeyNPIDRUQOSZSSPN-UHFFFAOYSA-N
MW361.51 g/mol
LogP3.44
Rot. Bonds9

About 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-phenoxyethyl)acetamide

2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-phenoxyethyl)acetamide (PubChem CID 17481207) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-phenoxyethyl)acetamide.

Molecular Properties

Compound Name2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-phenoxyethyl)acetamide
PubChem CID17481207
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC Name2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-phenoxyethyl)acetamide
SMILESCc1nc(SCC(=O)NCCOc2ccccc2)n(CC(C)C)c1C
InChIInChI=1S/C19H27N3O2S/c1-14(2)12-22-16(4)15(3)21-19(22)25-13-18(23)20-10-11-24-17-8-6-5-7-9-17/h5-9,14H,10-13H2,1-4H3,(H,20,23)
InChIKeyNPIDRUQOSZSSPN-UHFFFAOYSA-N
XLogP3.44
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 53.44
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-(4-methoxyphenyl)ethyl]acetamide
CID 40742538
2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2-phenoxyethyl)acetamide
CID 17495105
N-(2-phenoxyethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 8535303
2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-phenylphenyl)acetamide
CID 8004014
2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(1-methoxypropan-2-yl)acetamide
CID 51283315
2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenoxyethyl)acetamide
CID 78801003
N-(2-cyanophenyl)-2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylacetamide
CID 7524703
2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenoxyethyl)acetamide
CID 40663614
2-(3,4-dimethylphenyl)sulfanyl-N-(2-phenoxyethyl)acetamide
CID 26579562
2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
CID 112810940
2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
CID 29486546
2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 37062714

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-phenoxyethyl)acetamide?
The IUPAC name of 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-phenoxyethyl)acetamide (CID 17481207) is 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-phenoxyethyl)acetamide.
What is the SMILES notation for 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-phenoxyethyl)acetamide?
The canonical SMILES for 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-phenoxyethyl)acetamide is Cc1nc(SCC(=O)NCCOc2ccccc2)n(CC(C)C)c1C.
What is the InChIKey of 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-phenoxyethyl)acetamide?
The InChIKey is NPIDRUQOSZSSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S/c1-14(2)12-22-16(4)15(3)21-19(22)25-13-18(23)20-10-11-24-17-8-6-5-7-9-17/h5-9,14H,10-13H2,1-4H3,(H,20,23).
What are the key properties of 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-phenoxyethyl)acetamide?
2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-phenoxyethyl)acetamide has a molecular weight of 361.51 g/mol, XLogP of 3.44, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-phenoxyethyl)acetamide is sourced from PubChem (CID 17481207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).