N-(5-chloro-2-methylphenyl)-2-[4-(3-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide

C19H15ClFN3O2S — CID 8721452

IUPACN-(5-chloro-2-methylphenyl)-2-[4-(3-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
SMILESCc1ccc(Cl)cc1NC(=O)CSc1nccn(-c2cccc(F)c2)c1=O
InChIInChI=1S/C19H15ClFN3O2S/c1-12-5-6-13(20)9-16(12)23-17(25)11-27-18-19(26)24(8-7-22-18)15-4-2-3-14(21)10-15/h2-10H,11H2,1H3,(H,23,25)
InChIKeyQTMNNFSHXCEPAT-UHFFFAOYSA-N
MW403.87 g/mol
LogP4.06
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-2-[4-(3-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide

N-(5-chloro-2-methylphenyl)-2-[4-(3-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide (PubChem CID 8721452) has the molecular formula C19H15ClFN3O2S and a molecular weight of 403.87 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[4-(3-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[4-(3-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
PubChem CID8721452
Molecular FormulaC19H15ClFN3O2S
Molecular Weight403.87 g/mol
Exact Mass403.06
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[4-(3-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
SMILESCc1ccc(Cl)cc1NC(=O)CSc1nccn(-c2cccc(F)c2)c1=O
InChIInChI=1S/C19H15ClFN3O2S/c1-12-5-6-13(20)9-16(12)23-17(25)11-27-18-19(26)24(8-7-22-18)15-4-2-3-14(21)10-15/h2-10H,11H2,1H3,(H,23,25)
InChIKeyQTMNNFSHXCEPAT-UHFFFAOYSA-N
XLogP4.06
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[4-(3-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[4-(3-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide (CID 8721452) is N-(5-chloro-2-methylphenyl)-2-[4-(3-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[4-(3-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[4-(3-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide is Cc1ccc(Cl)cc1NC(=O)CSc1nccn(-c2cccc(F)c2)c1=O.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[4-(3-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The InChIKey is QTMNNFSHXCEPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O2S/c1-12-5-6-13(20)9-16(12)23-17(25)11-27-18-19(26)24(8-7-22-18)15-4-2-3-14(21)10-15/h2-10H,11H2,1H3,(H,23,25).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[4-(3-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
N-(5-chloro-2-methylphenyl)-2-[4-(3-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide has a molecular weight of 403.87 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[4-(3-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide is sourced from PubChem (CID 8721452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).