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

C19H16FN3O2S — CID 16824569

IUPAC2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CSc1nccn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C19H16FN3O2S/c1-13-4-2-3-5-16(13)22-17(24)12-26-18-19(25)23(11-10-21-18)15-8-6-14(20)7-9-15/h2-11H,12H2,1H3,(H,22,24)
InChIKeyJRFGOXQUTHBSBK-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.41
Rot. Bonds5

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

2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide (PubChem CID 16824569) has the molecular formula C19H16FN3O2S and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
PubChem CID16824569
Molecular FormulaC19H16FN3O2S
Molecular Weight369.42 g/mol
Exact Mass369.09
IUPAC Name2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CSc1nccn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C19H16FN3O2S/c1-13-4-2-3-5-16(13)22-17(24)12-26-18-19(25)23(11-10-21-18)15-8-6-14(20)7-9-15/h2-11H,12H2,1H3,(H,22,24)
InChIKeyJRFGOXQUTHBSBK-UHFFFAOYSA-N
XLogP3.41
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide (CID 16824569) is 2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CSc1nccn(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide?
The InChIKey is JRFGOXQUTHBSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2S/c1-13-4-2-3-5-16(13)22-17(24)12-26-18-19(25)23(11-10-21-18)15-8-6-14(20)7-9-15/h2-11H,12H2,1H3,(H,22,24).
What are the key properties of 2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide?
2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide has a molecular weight of 369.42 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 16824569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).