N-(3-methoxy-4-phenylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide

C25H21N3O2S — CID 20597642

IUPACN-(3-methoxy-4-phenylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide
SMILESCOc1cc(NC(=O)c2cccc(CSc3cnccn3)c2)ccc1-c1ccccc1
InChIInChI=1S/C25H21N3O2S/c1-30-23-15-21(10-11-22(23)19-7-3-2-4-8-19)28-25(29)20-9-5-6-18(14-20)17-31-24-16-26-12-13-27-24/h2-16H,17H2,1H3,(H,28,29)
InChIKeyWACVSPXLBPNKSF-UHFFFAOYSA-N
MW427.53 g/mol
LogP5.70
Rot. Bonds7

About N-(3-methoxy-4-phenylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide

N-(3-methoxy-4-phenylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide (PubChem CID 20597642) has the molecular formula C25H21N3O2S and a molecular weight of 427.53 g/mol. Its IUPAC name is N-(3-methoxy-4-phenylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-(3-methoxy-4-phenylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide
PubChem CID20597642
Molecular FormulaC25H21N3O2S
Molecular Weight427.53 g/mol
Exact Mass427.14
IUPAC NameN-(3-methoxy-4-phenylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide
SMILESCOc1cc(NC(=O)c2cccc(CSc3cnccn3)c2)ccc1-c1ccccc1
InChIInChI=1S/C25H21N3O2S/c1-30-23-15-21(10-11-22(23)19-7-3-2-4-8-19)28-25(29)20-9-5-6-18(14-20)17-31-24-16-26-12-13-27-24/h2-16H,17H2,1H3,(H,28,29)
InChIKeyWACVSPXLBPNKSF-UHFFFAOYSA-N
XLogP5.70
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.53
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-phenylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 20597650
N-(6-methoxy-3-pyridinyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 20597736
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-[4-(4,5-dichloroimidazol-1-yl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 20597661
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 20597673
N-[3-[(4-amino-3-pyridinyl)sulfanylmethyl]phenyl]-3,4,5-trimethoxybenzamide
CID 143409558
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
2-cyano-N-(3-methoxy-4-phenylphenyl)acetamide
CID 168520198
N-(3-fluoro-4-methoxyphenyl)-3-(pyridin-3-ylmethoxy)benzamide
CID 55796689
N-(3-phenylphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide
CID 20597649

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-4-phenylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide?
The IUPAC name of N-(3-methoxy-4-phenylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide (CID 20597642) is N-(3-methoxy-4-phenylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide.
What is the SMILES notation for N-(3-methoxy-4-phenylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide?
The canonical SMILES for N-(3-methoxy-4-phenylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide is COc1cc(NC(=O)c2cccc(CSc3cnccn3)c2)ccc1-c1ccccc1.
What is the InChIKey of N-(3-methoxy-4-phenylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide?
The InChIKey is WACVSPXLBPNKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2S/c1-30-23-15-21(10-11-22(23)19-7-3-2-4-8-19)28-25(29)20-9-5-6-18(14-20)17-31-24-16-26-12-13-27-24/h2-16H,17H2,1H3,(H,28,29).
What are the key properties of N-(3-methoxy-4-phenylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide?
N-(3-methoxy-4-phenylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide has a molecular weight of 427.53 g/mol, XLogP of 5.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-4-phenylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide is sourced from PubChem (CID 20597642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).