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

C20H18ClN3O3S — CID 20942006

IUPACN-(5-chloro-2-methylphenyl)-2-[4-(3-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
SMILESCOc1cccc(-n2ccnc(SCC(=O)Nc3cc(Cl)ccc3C)c2=O)c1
InChIInChI=1S/C20H18ClN3O3S/c1-13-6-7-14(21)10-17(13)23-18(25)12-28-19-20(26)24(9-8-22-19)15-4-3-5-16(11-15)27-2/h3-11H,12H2,1-2H3,(H,23,25)
InChIKeyUCZNPUVNIJEDKQ-UHFFFAOYSA-N
MW415.90 g/mol
LogP3.93
Rot. Bonds6

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

N-(5-chloro-2-methylphenyl)-2-[4-(3-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide (PubChem CID 20942006) has the molecular formula C20H18ClN3O3S and a molecular weight of 415.90 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[4-(3-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[4-(3-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
PubChem CID20942006
Molecular FormulaC20H18ClN3O3S
Molecular Weight415.90 g/mol
Exact Mass415.08
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[4-(3-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
SMILESCOc1cccc(-n2ccnc(SCC(=O)Nc3cc(Cl)ccc3C)c2=O)c1
InChIInChI=1S/C20H18ClN3O3S/c1-13-6-7-14(21)10-17(13)23-18(25)12-28-19-20(26)24(9-8-22-19)15-4-3-5-16(11-15)27-2/h3-11H,12H2,1-2H3,(H,23,25)
InChIKeyUCZNPUVNIJEDKQ-UHFFFAOYSA-N
XLogP3.93
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.90
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethylphenyl)-2-[4-(3-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 50790472
N-(3-methoxyphenyl)-2-[4-(3-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 8721436
2-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2,4-dimethoxyphenyl)acetamide
CID 18579425
2-[4-(3,4-difluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 7386681
N-(3-chlorophenyl)-2-[4-(3-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 8721442
N-(2,5-dimethylphenyl)-2-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 7246354
N-benzyl-2-[4-(3-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 20941994
2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 30802274
2-[4-(3-chloro-4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-chlorophenyl)acetamide
CID 18579443
2-[4-(4-bromophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
CID 18579522
N-(3-chlorophenyl)-2-(3-oxo-4-phenylpyrazin-2-yl)sulfanylacetamide
CID 20941735
2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
CID 30802090

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[4-(3-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[4-(3-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide (CID 20942006) is N-(5-chloro-2-methylphenyl)-2-[4-(3-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[4-(3-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[4-(3-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide is COc1cccc(-n2ccnc(SCC(=O)Nc3cc(Cl)ccc3C)c2=O)c1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[4-(3-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The InChIKey is UCZNPUVNIJEDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3S/c1-13-6-7-14(21)10-17(13)23-18(25)12-28-19-20(26)24(9-8-22-19)15-4-3-5-16(11-15)27-2/h3-11H,12H2,1-2H3,(H,23,25).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[4-(3-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
N-(5-chloro-2-methylphenyl)-2-[4-(3-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide has a molecular weight of 415.90 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[4-(3-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide is sourced from PubChem (CID 20942006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).