2-(1-methylimidazol-2-yl)sulfanyl-N-(2-methylsulfanylphenyl)acetamide

C13H15N3OS2 — CID 593327

IUPAC2-(1-methylimidazol-2-yl)sulfanyl-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CSc1nccn1C
InChIInChI=1S/C13H15N3OS2/c1-16-8-7-14-13(16)19-9-12(17)15-10-5-3-4-6-11(10)18-2/h3-8H,9H2,1-2H3,(H,15,17)
InChIKeyIFAIUPVJPFSTEK-UHFFFAOYSA-N
MW293.42 g/mol
LogP2.87
Rot. Bonds5

About 2-(1-methylimidazol-2-yl)sulfanyl-N-(2-methylsulfanylphenyl)acetamide

2-(1-methylimidazol-2-yl)sulfanyl-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 593327) has the molecular formula C13H15N3OS2 and a molecular weight of 293.42 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)sulfanyl-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)sulfanyl-N-(2-methylsulfanylphenyl)acetamide
PubChem CID593327
Molecular FormulaC13H15N3OS2
Molecular Weight293.42 g/mol
Exact Mass293.07
IUPAC Name2-(1-methylimidazol-2-yl)sulfanyl-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CSc1nccn1C
InChIInChI=1S/C13H15N3OS2/c1-16-8-7-14-13(16)19-9-12(17)15-10-5-3-4-6-11(10)18-2/h3-8H,9H2,1-2H3,(H,15,17)
InChIKeyIFAIUPVJPFSTEK-UHFFFAOYSA-N
XLogP2.87
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-N-(2-methylsulfanylphenyl)acetamide (CID 593327) is 2-(1-methylimidazol-2-yl)sulfanyl-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)sulfanyl-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(1-methylimidazol-2-yl)sulfanyl-N-(2-methylsulfanylphenyl)acetamide is CSc1ccccc1NC(=O)CSc1nccn1C.
What is the InChIKey of 2-(1-methylimidazol-2-yl)sulfanyl-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is IFAIUPVJPFSTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS2/c1-16-8-7-14-13(16)19-9-12(17)15-10-5-3-4-6-11(10)18-2/h3-8H,9H2,1-2H3,(H,15,17).
What are the key properties of 2-(1-methylimidazol-2-yl)sulfanyl-N-(2-methylsulfanylphenyl)acetamide?
2-(1-methylimidazol-2-yl)sulfanyl-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 293.42 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)sulfanyl-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 593327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).