2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide

C21H23N3O2S — CID 4107284

IUPAC2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
SMILESCOc1cccc(-n2ccnc2SCC(=O)Nc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C21H23N3O2S/c1-14-10-15(2)20(16(3)11-14)23-19(25)13-27-21-22-8-9-24(21)17-6-5-7-18(12-17)26-4/h5-12H,13H2,1-4H3,(H,23,25)
InChIKeyZWKCJTZWMXNCTM-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.54
Rot. Bonds6

About 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide

2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 4107284) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID4107284
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
SMILESCOc1cccc(-n2ccnc2SCC(=O)Nc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C21H23N3O2S/c1-14-10-15(2)20(16(3)11-14)23-19(25)13-27-21-22-8-9-24(21)17-6-5-7-18(12-17)26-4/h5-12H,13H2,1-4H3,(H,23,25)
InChIKeyZWKCJTZWMXNCTM-UHFFFAOYSA-N
XLogP4.54
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide (CID 4107284) is 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide is COc1cccc(-n2ccnc2SCC(=O)Nc2c(C)cc(C)cc2C)c1.
What is the InChIKey of 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is ZWKCJTZWMXNCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-14-10-15(2)20(16(3)11-14)23-19(25)13-27-21-22-8-9-24(21)17-6-5-7-18(12-17)26-4/h5-12H,13H2,1-4H3,(H,23,25).
What are the key properties of 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide?
2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 381.50 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 4107284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).