N-(3,5-dimethylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide

C20H19N3OS — CID 20597621

IUPACN-(3,5-dimethylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide
SMILESCc1cc(C)cc(NC(=O)c2cccc(CSc3cnccn3)c2)c1
InChIInChI=1S/C20H19N3OS/c1-14-8-15(2)10-18(9-14)23-20(24)17-5-3-4-16(11-17)13-25-19-12-21-6-7-22-19/h3-12H,13H2,1-2H3,(H,23,24)
InChIKeyDOOXTXJOGWHZNH-UHFFFAOYSA-N
MW349.46 g/mol
LogP4.64
Rot. Bonds5

About N-(3,5-dimethylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide

N-(3,5-dimethylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide (PubChem CID 20597621) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide
PubChem CID20597621
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC NameN-(3,5-dimethylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide
SMILESCc1cc(C)cc(NC(=O)c2cccc(CSc3cnccn3)c2)c1
InChIInChI=1S/C20H19N3OS/c1-14-8-15(2)10-18(9-14)23-20(24)17-5-3-4-16(11-17)13-25-19-12-21-6-7-22-19/h3-12H,13H2,1-2H3,(H,23,24)
InChIKeyDOOXTXJOGWHZNH-UHFFFAOYSA-N
XLogP4.64
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3,5-dimethylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,5-dibromo-4-methylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 10278221
N-(3-phenylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 20597650
N-(6-methoxy-3-pyridinyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 20597736
3-(pyrazin-2-ylsulfanylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 20597448
N-(3-methoxy-4-phenylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 20597642
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 20597673
N-[4-(4,5-dichloroimidazol-1-yl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 20597661
3,5-dimethyl-N-[[3-(pyridin-3-ylcarbamoyl)phenyl]methyl]benzamide
CID 50914021
3-(cyanomethyl)-N-(3,5-dimethylphenyl)benzamide
CID 82179559
N-(3,5-dimethylphenyl)-3-(methylsulfonylmethyl)benzamide
CID 7668726
N-(3,5-dimethylphenyl)-3-sulfanylbenzamide
CID 107021223
N-(3,5-dimethylphenyl)-2-(4-ethylanilino)pyrimidine-5-carboxamide
CID 109266838

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide?
The IUPAC name of N-(3,5-dimethylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide (CID 20597621) is N-(3,5-dimethylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide is Cc1cc(C)cc(NC(=O)c2cccc(CSc3cnccn3)c2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide?
The InChIKey is DOOXTXJOGWHZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS/c1-14-8-15(2)10-18(9-14)23-20(24)17-5-3-4-16(11-17)13-25-19-12-21-6-7-22-19/h3-12H,13H2,1-2H3,(H,23,24).
What are the key properties of N-(3,5-dimethylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide?
N-(3,5-dimethylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide has a molecular weight of 349.46 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide is sourced from PubChem (CID 20597621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).