2-(1-methylimidazol-2-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide

C15H19N3OS — CID 708564

IUPAC2-(1-methylimidazol-2-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CSc2nccn2C)c(C)c1
InChIInChI=1S/C15H19N3OS/c1-10-7-11(2)14(12(3)8-10)17-13(19)9-20-15-16-5-6-18(15)4/h5-8H,9H2,1-4H3,(H,17,19)
InChIKeyJDMFRLWZLSJWGF-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.08
Rot. Bonds4

About 2-(1-methylimidazol-2-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide

2-(1-methylimidazol-2-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 708564) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID708564
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-(1-methylimidazol-2-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CSc2nccn2C)c(C)c1
InChIInChI=1S/C15H19N3OS/c1-10-7-11(2)14(12(3)8-10)17-13(19)9-20-15-16-5-6-18(15)4/h5-8H,9H2,1-4H3,(H,17,19)
InChIKeyJDMFRLWZLSJWGF-UHFFFAOYSA-N
XLogP3.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide (CID 708564) is 2-(1-methylimidazol-2-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-(1-methylimidazol-2-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CSc2nccn2C)c(C)c1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is JDMFRLWZLSJWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-10-7-11(2)14(12(3)8-10)17-13(19)9-20-15-16-5-6-18(15)4/h5-8H,9H2,1-4H3,(H,17,19).
What are the key properties of 2-(1-methylimidazol-2-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide?
2-(1-methylimidazol-2-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 289.40 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 708564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).