2-[4-(3,4-difluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide

C19H15F2N3O2S — CID 7386667

IUPAC2-[4-(3,4-difluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CSc1nccn(-c2ccc(F)c(F)c2)c1=O
InChIInChI=1S/C19H15F2N3O2S/c1-12-4-2-3-5-16(12)23-17(25)11-27-18-19(26)24(9-8-22-18)13-6-7-14(20)15(21)10-13/h2-10H,11H2,1H3,(H,23,25)
InChIKeyHHATTZYQLGIJEY-UHFFFAOYSA-N
MW387.41 g/mol
LogP3.55
Rot. Bonds5

About 2-[4-(3,4-difluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide

2-[4-(3,4-difluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide (PubChem CID 7386667) has the molecular formula C19H15F2N3O2S and a molecular weight of 387.41 g/mol. Its IUPAC name is 2-[4-(3,4-difluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(3,4-difluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
PubChem CID7386667
Molecular FormulaC19H15F2N3O2S
Molecular Weight387.41 g/mol
Exact Mass387.09
IUPAC Name2-[4-(3,4-difluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CSc1nccn(-c2ccc(F)c(F)c2)c1=O
InChIInChI=1S/C19H15F2N3O2S/c1-12-4-2-3-5-16(12)23-17(25)11-27-18-19(26)24(9-8-22-18)13-6-7-14(20)15(21)10-13/h2-10H,11H2,1H3,(H,23,25)
InChIKeyHHATTZYQLGIJEY-UHFFFAOYSA-N
XLogP3.55
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-difluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[4-(3,4-difluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide (CID 7386667) is 2-[4-(3,4-difluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(3,4-difluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(3,4-difluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CSc1nccn(-c2ccc(F)c(F)c2)c1=O.
What is the InChIKey of 2-[4-(3,4-difluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide?
The InChIKey is HHATTZYQLGIJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O2S/c1-12-4-2-3-5-16(12)23-17(25)11-27-18-19(26)24(9-8-22-18)13-6-7-14(20)15(21)10-13/h2-10H,11H2,1H3,(H,23,25).
What are the key properties of 2-[4-(3,4-difluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide?
2-[4-(3,4-difluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide has a molecular weight of 387.41 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-difluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 7386667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).