N-(5-bromopyrazin-2-yl)-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)propanamide

C20H17BrFN3O3S — CID 57378396

IUPACN-(5-bromopyrazin-2-yl)-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)propanamide
SMILESCS(=O)(=O)c1ccc(C(Cc2ccc(F)cc2)C(=O)Nc2cnc(Br)cn2)cc1
InChIInChI=1S/C20H17BrFN3O3S/c1-29(27,28)16-8-4-14(5-9-16)17(10-13-2-6-15(22)7-3-13)20(26)25-19-12-23-18(21)11-24-19/h2-9,11-12,17H,10H2,1H3,(H,24,25,26)
InChIKeyUGKPHQWOCQATAC-UHFFFAOYSA-N
MW478.34 g/mol
LogP3.75
Rot. Bonds6

About N-(5-bromopyrazin-2-yl)-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)propanamide

N-(5-bromopyrazin-2-yl)-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)propanamide (PubChem CID 57378396) has the molecular formula C20H17BrFN3O3S and a molecular weight of 478.34 g/mol. Its IUPAC name is N-(5-bromopyrazin-2-yl)-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-(5-bromopyrazin-2-yl)-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)propanamide
PubChem CID57378396
Molecular FormulaC20H17BrFN3O3S
Molecular Weight478.34 g/mol
Exact Mass477.02
IUPAC NameN-(5-bromopyrazin-2-yl)-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)propanamide
SMILESCS(=O)(=O)c1ccc(C(Cc2ccc(F)cc2)C(=O)Nc2cnc(Br)cn2)cc1
InChIInChI=1S/C20H17BrFN3O3S/c1-29(27,28)16-8-4-14(5-9-16)17(10-13-2-6-15(22)7-3-13)20(26)25-19-12-23-18(21)11-24-19/h2-9,11-12,17H,10H2,1H3,(H,24,25,26)
InChIKeyUGKPHQWOCQATAC-UHFFFAOYSA-N
XLogP3.75
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.34
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromopyrazin-2-yl)-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)propanamide?
The IUPAC name of N-(5-bromopyrazin-2-yl)-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)propanamide (CID 57378396) is N-(5-bromopyrazin-2-yl)-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)propanamide.
What is the SMILES notation for N-(5-bromopyrazin-2-yl)-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)propanamide?
The canonical SMILES for N-(5-bromopyrazin-2-yl)-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)propanamide is CS(=O)(=O)c1ccc(C(Cc2ccc(F)cc2)C(=O)Nc2cnc(Br)cn2)cc1.
What is the InChIKey of N-(5-bromopyrazin-2-yl)-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)propanamide?
The InChIKey is UGKPHQWOCQATAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrFN3O3S/c1-29(27,28)16-8-4-14(5-9-16)17(10-13-2-6-15(22)7-3-13)20(26)25-19-12-23-18(21)11-24-19/h2-9,11-12,17H,10H2,1H3,(H,24,25,26).
What are the key properties of N-(5-bromopyrazin-2-yl)-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)propanamide?
N-(5-bromopyrazin-2-yl)-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)propanamide has a molecular weight of 478.34 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopyrazin-2-yl)-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)propanamide is sourced from PubChem (CID 57378396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).