2-(5,6-diphenylpyrazin-2-yl)sulfanyl-N,N-dimethylacetamide

C20H19N3OS — CID 169104005

IUPAC2-(5,6-diphenylpyrazin-2-yl)sulfanyl-N,N-dimethylacetamide
SMILESCN(C)C(=O)CSc1cnc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C20H19N3OS/c1-23(2)18(24)14-25-17-13-21-19(15-9-5-3-6-10-15)20(22-17)16-11-7-4-8-12-16/h3-13H,14H2,1-2H3
InChIKeyASSVHDDZCWXDFE-UHFFFAOYSA-N
MW349.46 g/mol
LogP3.99
Rot. Bonds5

About 2-(5,6-diphenylpyrazin-2-yl)sulfanyl-N,N-dimethylacetamide

2-(5,6-diphenylpyrazin-2-yl)sulfanyl-N,N-dimethylacetamide (PubChem CID 169104005) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-(5,6-diphenylpyrazin-2-yl)sulfanyl-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(5,6-diphenylpyrazin-2-yl)sulfanyl-N,N-dimethylacetamide
PubChem CID169104005
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC Name2-(5,6-diphenylpyrazin-2-yl)sulfanyl-N,N-dimethylacetamide
SMILESCN(C)C(=O)CSc1cnc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C20H19N3OS/c1-23(2)18(24)14-25-17-13-21-19(15-9-5-3-6-10-15)20(22-17)16-11-7-4-8-12-16/h3-13H,14H2,1-2H3
InChIKeyASSVHDDZCWXDFE-UHFFFAOYSA-N
XLogP3.99
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-diphenylpyrazin-2-yl)sulfanyl-N,N-dimethylacetamide?
The IUPAC name of 2-(5,6-diphenylpyrazin-2-yl)sulfanyl-N,N-dimethylacetamide (CID 169104005) is 2-(5,6-diphenylpyrazin-2-yl)sulfanyl-N,N-dimethylacetamide.
What is the SMILES notation for 2-(5,6-diphenylpyrazin-2-yl)sulfanyl-N,N-dimethylacetamide?
The canonical SMILES for 2-(5,6-diphenylpyrazin-2-yl)sulfanyl-N,N-dimethylacetamide is CN(C)C(=O)CSc1cnc(-c2ccccc2)c(-c2ccccc2)n1.
What is the InChIKey of 2-(5,6-diphenylpyrazin-2-yl)sulfanyl-N,N-dimethylacetamide?
The InChIKey is ASSVHDDZCWXDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS/c1-23(2)18(24)14-25-17-13-21-19(15-9-5-3-6-10-15)20(22-17)16-11-7-4-8-12-16/h3-13H,14H2,1-2H3.
What are the key properties of 2-(5,6-diphenylpyrazin-2-yl)sulfanyl-N,N-dimethylacetamide?
2-(5,6-diphenylpyrazin-2-yl)sulfanyl-N,N-dimethylacetamide has a molecular weight of 349.46 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-diphenylpyrazin-2-yl)sulfanyl-N,N-dimethylacetamide is sourced from PubChem (CID 169104005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).