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

C19H15ClFN3O3S — CID 18591415

IUPACN-(3-chloro-4-fluorophenyl)-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
SMILESCOc1ccc(-n2ccnc(SCC(=O)Nc3ccc(F)c(Cl)c3)c2=O)cc1
InChIInChI=1S/C19H15ClFN3O3S/c1-27-14-5-3-13(4-6-14)24-9-8-22-18(19(24)26)28-11-17(25)23-12-2-7-16(21)15(20)10-12/h2-10H,11H2,1H3,(H,23,25)
InChIKeyVSFLLAIWQVPAIP-UHFFFAOYSA-N
MW419.87 g/mol
LogP3.76
Rot. Bonds6

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

N-(3-chloro-4-fluorophenyl)-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide (PubChem CID 18591415) has the molecular formula C19H15ClFN3O3S and a molecular weight of 419.87 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
PubChem CID18591415
Molecular FormulaC19H15ClFN3O3S
Molecular Weight419.87 g/mol
Exact Mass419.05
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
SMILESCOc1ccc(-n2ccnc(SCC(=O)Nc3ccc(F)c(Cl)c3)c2=O)cc1
InChIInChI=1S/C19H15ClFN3O3S/c1-27-14-5-3-13(4-6-14)24-9-8-22-18(19(24)26)28-11-17(25)23-12-2-7-16(21)15(20)10-12/h2-10H,11H2,1H3,(H,23,25)
InChIKeyVSFLLAIWQVPAIP-UHFFFAOYSA-N
XLogP3.76
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.87
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-chloro-4-fluorophenyl)-2-[4-(4-methoxyphenyl)-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-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide (CID 18591415) is N-(3-chloro-4-fluorophenyl)-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide is COc1ccc(-n2ccnc(SCC(=O)Nc3ccc(F)c(Cl)c3)c2=O)cc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The InChIKey is VSFLLAIWQVPAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O3S/c1-27-14-5-3-13(4-6-14)24-9-8-22-18(19(24)26)28-11-17(25)23-12-2-7-16(21)15(20)10-12/h2-10H,11H2,1H3,(H,23,25).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
N-(3-chloro-4-fluorophenyl)-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide has a molecular weight of 419.87 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide is sourced from PubChem (CID 18591415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).