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

C19H15ClFN3O2S — CID 16956715

IUPACN-(3-chloro-4-fluorophenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
SMILESCc1ccc(-n2ccnc(SCC(=O)Nc3ccc(F)c(Cl)c3)c2=O)cc1
InChIInChI=1S/C19H15ClFN3O2S/c1-12-2-5-14(6-3-12)24-9-8-22-18(19(24)26)27-11-17(25)23-13-4-7-16(21)15(20)10-13/h2-10H,11H2,1H3,(H,23,25)
InChIKeyUDUCQLZUTZBQBK-UHFFFAOYSA-N
MW403.87 g/mol
LogP4.06
Rot. Bonds5

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

N-(3-chloro-4-fluorophenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide (PubChem CID 16956715) has the molecular formula C19H15ClFN3O2S and a molecular weight of 403.87 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
PubChem CID16956715
Molecular FormulaC19H15ClFN3O2S
Molecular Weight403.87 g/mol
Exact Mass403.06
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
SMILESCc1ccc(-n2ccnc(SCC(=O)Nc3ccc(F)c(Cl)c3)c2=O)cc1
InChIInChI=1S/C19H15ClFN3O2S/c1-12-2-5-14(6-3-12)24-9-8-22-18(19(24)26)27-11-17(25)23-13-4-7-16(21)15(20)10-13/h2-10H,11H2,1H3,(H,23,25)
InChIKeyUDUCQLZUTZBQBK-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

Analyze N-(3-chloro-4-fluorophenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide (CID 16956715) is N-(3-chloro-4-fluorophenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide is Cc1ccc(-n2ccnc(SCC(=O)Nc3ccc(F)c(Cl)c3)c2=O)cc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The InChIKey is UDUCQLZUTZBQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O2S/c1-12-2-5-14(6-3-12)24-9-8-22-18(19(24)26)27-11-17(25)23-13-4-7-16(21)15(20)10-13/h2-10H,11H2,1H3,(H,23,25).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
N-(3-chloro-4-fluorophenyl)-2-[4-(4-methylphenyl)-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-(3-chloro-4-fluorophenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide is sourced from PubChem (CID 16956715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).