2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide

C21H23N3O2S — CID 3491429

IUPAC2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CSc2nccn2-c2cccc(C)c2C)cc1
InChIInChI=1S/C21H23N3O2S/c1-4-26-18-10-8-17(9-11-18)23-20(25)14-27-21-22-12-13-24(21)19-7-5-6-15(2)16(19)3/h5-13H,4,14H2,1-3H3,(H,23,25)
InChIKeyRJUNGGGZMONRCK-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.62
Rot. Bonds7

About 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide

2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide (PubChem CID 3491429) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
PubChem CID3491429
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CSc2nccn2-c2cccc(C)c2C)cc1
InChIInChI=1S/C21H23N3O2S/c1-4-26-18-10-8-17(9-11-18)23-20(25)14-27-21-22-12-13-24(21)19-7-5-6-15(2)16(19)3/h5-13H,4,14H2,1-3H3,(H,23,25)
InChIKeyRJUNGGGZMONRCK-UHFFFAOYSA-N
XLogP4.62
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide (CID 3491429) is 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CSc2nccn2-c2cccc(C)c2C)cc1.
What is the InChIKey of 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide?
The InChIKey is RJUNGGGZMONRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-4-26-18-10-8-17(9-11-18)23-20(25)14-27-21-22-12-13-24(21)19-7-5-6-15(2)16(19)3/h5-13H,4,14H2,1-3H3,(H,23,25).
What are the key properties of 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide?
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide has a molecular weight of 381.50 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 3491429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).