2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide

C21H23N3O2S — CID 16896885

IUPAC2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCOc1ccc(-c2cnc(SCC(=O)Nc3c(C)cc(C)cc3C)[nH]2)cc1
InChIInChI=1S/C21H23N3O2S/c1-13-9-14(2)20(15(3)10-13)24-19(25)12-27-21-22-11-18(23-21)16-5-7-17(26-4)8-6-16/h5-11H,12H2,1-4H3,(H,22,23)(H,24,25)
InChIKeyWESCZWMVIQZHDG-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.74
Rot. Bonds6

About 2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide

2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 16896885) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID16896885
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCOc1ccc(-c2cnc(SCC(=O)Nc3c(C)cc(C)cc3C)[nH]2)cc1
InChIInChI=1S/C21H23N3O2S/c1-13-9-14(2)20(15(3)10-13)24-19(25)12-27-21-22-11-18(23-21)16-5-7-17(26-4)8-6-16/h5-11H,12H2,1-4H3,(H,22,23)(H,24,25)
InChIKeyWESCZWMVIQZHDG-UHFFFAOYSA-N
XLogP4.74
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl]benzamide
CID 35039501
2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 860054
2-[[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 16504539
2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 40555975
N-[(2,4-dimethylphenyl)carbamoyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 35039860
N-[2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-(3-methylphenyl)acetamide
CID 18575414
N-(3,4-dimethylphenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 856403
2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 27736148
N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 1451049
N-(2-chloro-4,6-dimethylphenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7896489
N-(4-chlorophenyl)-2-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide
CID 1118769
N-(2,6-dichlorophenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 40604658

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide (CID 16896885) is 2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide is COc1ccc(-c2cnc(SCC(=O)Nc3c(C)cc(C)cc3C)[nH]2)cc1.
What is the InChIKey of 2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is WESCZWMVIQZHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-13-9-14(2)20(15(3)10-13)24-19(25)12-27-21-22-11-18(23-21)16-5-7-17(26-4)8-6-16/h5-11H,12H2,1-4H3,(H,22,23)(H,24,25).
What are the key properties of 2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide?
2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 381.50 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 16896885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).