2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide

C21H23N3O3S — CID 7150960

IUPAC2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide
SMILESCOc1ccc(-n2ccnc2SCC(=O)Nc2cc(C)ccc2C)c(OC)c1
InChIInChI=1S/C21H23N3O3S/c1-14-5-6-15(2)17(11-14)23-20(25)13-28-21-22-9-10-24(21)18-8-7-16(26-3)12-19(18)27-4/h5-12H,13H2,1-4H3,(H,23,25)
InChIKeyJAKRPPRRAOYEHH-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.24
Rot. Bonds7

About 2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide

2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide (PubChem CID 7150960) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is 2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide
PubChem CID7150960
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide
SMILESCOc1ccc(-n2ccnc2SCC(=O)Nc2cc(C)ccc2C)c(OC)c1
InChIInChI=1S/C21H23N3O3S/c1-14-5-6-15(2)17(11-14)23-20(25)13-28-21-22-9-10-24(21)18-8-7-16(26-3)12-19(18)27-4/h5-12H,13H2,1-4H3,(H,23,25)
InChIKeyJAKRPPRRAOYEHH-UHFFFAOYSA-N
XLogP4.24
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide (CID 7150960) is 2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide is COc1ccc(-n2ccnc2SCC(=O)Nc2cc(C)ccc2C)c(OC)c1.
What is the InChIKey of 2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is JAKRPPRRAOYEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-14-5-6-15(2)17(11-14)23-20(25)13-28-21-22-9-10-24(21)18-8-7-16(26-3)12-19(18)27-4/h5-12H,13H2,1-4H3,(H,23,25).
What are the key properties of 2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide?
2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 397.50 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 7150960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).