N-(3-phenylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide

C24H19N3OS — CID 20597650

IUPACN-(3-phenylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide
SMILESO=C(Nc1cccc(-c2ccccc2)c1)c1cccc(CSc2cnccn2)c1
InChIInChI=1S/C24H19N3OS/c28-24(27-22-11-5-9-20(15-22)19-7-2-1-3-8-19)21-10-4-6-18(14-21)17-29-23-16-25-12-13-26-23/h1-16H,17H2,(H,27,28)
InChIKeyPQYZMEAHBAXXKR-UHFFFAOYSA-N
MW397.50 g/mol
LogP5.69
Rot. Bonds6

About N-(3-phenylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide

N-(3-phenylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide (PubChem CID 20597650) has the molecular formula C24H19N3OS and a molecular weight of 397.50 g/mol. Its IUPAC name is N-(3-phenylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-(3-phenylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide
PubChem CID20597650
Molecular FormulaC24H19N3OS
Molecular Weight397.50 g/mol
Exact Mass397.12
IUPAC NameN-(3-phenylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide
SMILESO=C(Nc1cccc(-c2ccccc2)c1)c1cccc(CSc2cnccn2)c1
InChIInChI=1S/C24H19N3OS/c28-24(27-22-11-5-9-20(15-22)19-7-2-1-3-8-19)21-10-4-6-18(14-21)17-29-23-16-25-12-13-26-23/h1-16H,17H2,(H,27,28)
InChIKeyPQYZMEAHBAXXKR-UHFFFAOYSA-N
XLogP5.69
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.50
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxy-4-phenylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 20597642
N-(3,5-dimethylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 20597621
N-(3,5-dibromo-4-methylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 10278221
3-(pyrazin-2-ylsulfanylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 20597448
N-(6-methoxy-3-pyridinyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 20597736
N-[4-(4,5-dichloroimidazol-1-yl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 20597661
N-(3-phenylphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide
CID 20597649
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 20597673
3-phenyl-N-pyridin-3-ylbenzamide
CID 110723041
N-(3-methyl-4-propan-2-ylphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(3-phenylphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[4-[(2-phenylpyrazol-3-yl)sulfamoyl]phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 158433212
N-(3-pyridin-3-ylphenyl)pyridine-3-carboxamide
CID 110461666
N-(3-pyridin-4-ylphenyl)pyridine-4-carboxamide
CID 166320523

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide?
The IUPAC name of N-(3-phenylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide (CID 20597650) is N-(3-phenylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide.
What is the SMILES notation for N-(3-phenylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide?
The canonical SMILES for N-(3-phenylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide is O=C(Nc1cccc(-c2ccccc2)c1)c1cccc(CSc2cnccn2)c1.
What is the InChIKey of N-(3-phenylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide?
The InChIKey is PQYZMEAHBAXXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3OS/c28-24(27-22-11-5-9-20(15-22)19-7-2-1-3-8-19)21-10-4-6-18(14-21)17-29-23-16-25-12-13-26-23/h1-16H,17H2,(H,27,28).
What are the key properties of N-(3-phenylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide?
N-(3-phenylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide has a molecular weight of 397.50 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide is sourced from PubChem (CID 20597650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).