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

C21H23N3OS — CID 4257383

IUPAC2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CSc2nccn2-c2cccc(C)c2C)cc1
InChIInChI=1S/C21H23N3OS/c1-4-17-8-10-18(11-9-17)23-20(25)14-26-21-22-12-13-24(21)19-7-5-6-15(2)16(19)3/h5-13H,4,14H2,1-3H3,(H,23,25)
InChIKeyPHRWVZHWHNPRQN-UHFFFAOYSA-N
MW365.50 g/mol
LogP4.78
Rot. Bonds6

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

2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide (PubChem CID 4257383) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide
PubChem CID4257383
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC Name2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CSc2nccn2-c2cccc(C)c2C)cc1
InChIInChI=1S/C21H23N3OS/c1-4-17-8-10-18(11-9-17)23-20(25)14-26-21-22-12-13-24(21)19-7-5-6-15(2)16(19)3/h5-13H,4,14H2,1-3H3,(H,23,25)
InChIKeyPHRWVZHWHNPRQN-UHFFFAOYSA-N
XLogP4.78
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide (CID 4257383) is 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)CSc2nccn2-c2cccc(C)c2C)cc1.
What is the InChIKey of 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide?
The InChIKey is PHRWVZHWHNPRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-4-17-8-10-18(11-9-17)23-20(25)14-26-21-22-12-13-24(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-ethylphenyl)acetamide?
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide has a molecular weight of 365.50 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 4257383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).