N-[(2-chlorophenyl)methyl]-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide

C20H18ClN3O3S — CID 7246384

IUPACN-[(2-chlorophenyl)methyl]-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
SMILESCOc1ccc(-n2ccnc(SCC(=O)NCc3ccccc3Cl)c2=O)cc1
InChIInChI=1S/C20H18ClN3O3S/c1-27-16-8-6-15(7-9-16)24-11-10-22-19(20(24)26)28-13-18(25)23-12-14-4-2-3-5-17(14)21/h2-11H,12-13H2,1H3,(H,23,25)
InChIKeyCNMNPOZLLWMCJF-UHFFFAOYSA-N
MW415.90 g/mol
LogP3.30
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide

N-[(2-chlorophenyl)methyl]-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide (PubChem CID 7246384) has the molecular formula C20H18ClN3O3S and a molecular weight of 415.90 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
PubChem CID7246384
Molecular FormulaC20H18ClN3O3S
Molecular Weight415.90 g/mol
Exact Mass415.08
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
SMILESCOc1ccc(-n2ccnc(SCC(=O)NCc3ccccc3Cl)c2=O)cc1
InChIInChI=1S/C20H18ClN3O3S/c1-27-16-8-6-15(7-9-16)24-11-10-22-19(20(24)26)28-13-18(25)23-12-14-4-2-3-5-17(14)21/h2-11H,12-13H2,1H3,(H,23,25)
InChIKeyCNMNPOZLLWMCJF-UHFFFAOYSA-N
XLogP3.30
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.90
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide (CID 7246384) is N-[(2-chlorophenyl)methyl]-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide is COc1ccc(-n2ccnc(SCC(=O)NCc3ccccc3Cl)c2=O)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The InChIKey is CNMNPOZLLWMCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3S/c1-27-16-8-6-15(7-9-16)24-11-10-22-19(20(24)26)28-13-18(25)23-12-14-4-2-3-5-17(14)21/h2-11H,12-13H2,1H3,(H,23,25).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
N-[(2-chlorophenyl)methyl]-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide has a molecular weight of 415.90 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide is sourced from PubChem (CID 7246384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).