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

C19H16FN3O3S — CID 16824561

IUPAC2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CSc2nccn(-c3ccc(F)cc3)c2=O)c1
InChIInChI=1S/C19H16FN3O3S/c1-26-16-4-2-3-14(11-16)22-17(24)12-27-18-19(25)23(10-9-21-18)15-7-5-13(20)6-8-15/h2-11H,12H2,1H3,(H,22,24)
InChIKeyZSKKVRVWEXQUQW-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.11
Rot. Bonds6

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

2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide (PubChem CID 16824561) has the molecular formula C19H16FN3O3S and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
PubChem CID16824561
Molecular FormulaC19H16FN3O3S
Molecular Weight385.42 g/mol
Exact Mass385.09
IUPAC Name2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CSc2nccn(-c3ccc(F)cc3)c2=O)c1
InChIInChI=1S/C19H16FN3O3S/c1-26-16-4-2-3-14(11-16)22-17(24)12-27-18-19(25)23(10-9-21-18)15-7-5-13(20)6-8-15/h2-11H,12H2,1H3,(H,22,24)
InChIKeyZSKKVRVWEXQUQW-UHFFFAOYSA-N
XLogP3.11
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide (CID 16824561) is 2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CSc2nccn(-c3ccc(F)cc3)c2=O)c1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide?
The InChIKey is ZSKKVRVWEXQUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3S/c1-26-16-4-2-3-14(11-16)22-17(24)12-27-18-19(25)23(10-9-21-18)15-7-5-13(20)6-8-15/h2-11H,12H2,1H3,(H,22,24).
What are the key properties of 2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide?
2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide has a molecular weight of 385.42 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 16824561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).