3-(pyrazin-2-ylsulfanylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide

C19H14F3N3OS — CID 20597448

IUPAC3-(pyrazin-2-ylsulfanylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(CSc2cnccn2)c1
InChIInChI=1S/C19H14F3N3OS/c20-19(21,22)15-4-6-16(7-5-15)25-18(26)14-3-1-2-13(10-14)12-27-17-11-23-8-9-24-17/h1-11H,12H2,(H,25,26)
InChIKeyOZFKPRWTKMHIMC-UHFFFAOYSA-N
MW389.40 g/mol
LogP5.04
Rot. Bonds5

About 3-(pyrazin-2-ylsulfanylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide

3-(pyrazin-2-ylsulfanylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 20597448) has the molecular formula C19H14F3N3OS and a molecular weight of 389.40 g/mol. Its IUPAC name is 3-(pyrazin-2-ylsulfanylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(pyrazin-2-ylsulfanylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID20597448
Molecular FormulaC19H14F3N3OS
Molecular Weight389.40 g/mol
Exact Mass389.08
IUPAC Name3-(pyrazin-2-ylsulfanylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(CSc2cnccn2)c1
InChIInChI=1S/C19H14F3N3OS/c20-19(21,22)15-4-6-16(7-5-15)25-18(26)14-3-1-2-13(10-14)12-27-17-11-23-8-9-24-17/h1-11H,12H2,(H,25,26)
InChIKeyOZFKPRWTKMHIMC-UHFFFAOYSA-N
XLogP5.04
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.40
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(pyrazin-2-ylsulfanylmethyl)-N-[4-(trifluoromethyl)phenyl]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-dimethylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 20597621
N-(3,5-dibromo-4-methylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 10278221
N-(3-phenylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 20597650
N-[4-(4,5-dichloroimidazol-1-yl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 20597661
N-(6-methoxy-3-pyridinyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 20597736
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;N-(9H-fluoren-2-yl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 160870434
N-pyridin-3-yl-3-[[4-(trifluoromethyl)phenyl]methoxy]benzamide
CID 59607236
N-(4-ethylphenyl)-3-(trifluoromethyl)benzamide
CID 2684380
3-N-benzyl-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109105061
3-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenylbenzamide
CID 55860927

Frequently Asked Questions

What is the IUPAC name of 3-(pyrazin-2-ylsulfanylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-(pyrazin-2-ylsulfanylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide (CID 20597448) is 3-(pyrazin-2-ylsulfanylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-(pyrazin-2-ylsulfanylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-(pyrazin-2-ylsulfanylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(CSc2cnccn2)c1.
What is the InChIKey of 3-(pyrazin-2-ylsulfanylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is OZFKPRWTKMHIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3OS/c20-19(21,22)15-4-6-16(7-5-15)25-18(26)14-3-1-2-13(10-14)12-27-17-11-23-8-9-24-17/h1-11H,12H2,(H,25,26).
What are the key properties of 3-(pyrazin-2-ylsulfanylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide?
3-(pyrazin-2-ylsulfanylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 389.40 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrazin-2-ylsulfanylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 20597448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).