N-(3,5-dibromo-4-methylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide

C19H15Br2N3OS — CID 10278221

IUPACN-(3,5-dibromo-4-methylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide
SMILESCc1c(Br)cc(NC(=O)c2cccc(CSc3cnccn3)c2)cc1Br
InChIInChI=1S/C19H15Br2N3OS/c1-12-16(20)8-15(9-17(12)21)24-19(25)14-4-2-3-13(7-14)11-26-18-10-22-5-6-23-18/h2-10H,11H2,1H3,(H,24,25)
InChIKeyLHBFEHSPZWVQQA-UHFFFAOYSA-N
MW493.22 g/mol
LogP5.85
Rot. Bonds5

About N-(3,5-dibromo-4-methylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide

N-(3,5-dibromo-4-methylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide (PubChem CID 10278221) has the molecular formula C19H15Br2N3OS and a molecular weight of 493.22 g/mol. Its IUPAC name is N-(3,5-dibromo-4-methylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-(3,5-dibromo-4-methylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide
PubChem CID10278221
Molecular FormulaC19H15Br2N3OS
Molecular Weight493.22 g/mol
Exact Mass490.93
IUPAC NameN-(3,5-dibromo-4-methylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide
SMILESCc1c(Br)cc(NC(=O)c2cccc(CSc3cnccn3)c2)cc1Br
InChIInChI=1S/C19H15Br2N3OS/c1-12-16(20)8-15(9-17(12)21)24-19(25)14-4-2-3-13(7-14)11-26-18-10-22-5-6-23-18/h2-10H,11H2,1H3,(H,24,25)
InChIKeyLHBFEHSPZWVQQA-UHFFFAOYSA-N
XLogP5.85
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.22
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 20597621
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
N-(4-bromo-3,5-dimethylphenyl)-3-(chloromethyl)benzamide
CID 107573025
2-[(4-bromo-3-nitrophenyl)methylsulfanyl]pyrazine
CID 113335400
N-(3-bromophenyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide
CID 38885627
2-[[3-(pyridin-2-ylsulfanylmethyl)benzoyl]amino]acetate
CID 6920398
N-(4-bromo-3,5-dimethylphenyl)pyridine-3-carboxamide
CID 106491097

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dibromo-4-methylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide?
The IUPAC name of N-(3,5-dibromo-4-methylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide (CID 10278221) is N-(3,5-dibromo-4-methylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide.
What is the SMILES notation for N-(3,5-dibromo-4-methylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide?
The canonical SMILES for N-(3,5-dibromo-4-methylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide is Cc1c(Br)cc(NC(=O)c2cccc(CSc3cnccn3)c2)cc1Br.
What is the InChIKey of N-(3,5-dibromo-4-methylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide?
The InChIKey is LHBFEHSPZWVQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Br2N3OS/c1-12-16(20)8-15(9-17(12)21)24-19(25)14-4-2-3-13(7-14)11-26-18-10-22-5-6-23-18/h2-10H,11H2,1H3,(H,24,25).
What are the key properties of N-(3,5-dibromo-4-methylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide?
N-(3,5-dibromo-4-methylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide has a molecular weight of 493.22 g/mol, XLogP of 5.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dibromo-4-methylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide is sourced from PubChem (CID 10278221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).