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

C20H18ClN3O3S — CID 18579496

IUPACN-[(2-chlorophenyl)methyl]-2-[4-(2-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
SMILESCOc1ccccc1-n1ccnc(SCC(=O)NCc2ccccc2Cl)c1=O
InChIInChI=1S/C20H18ClN3O3S/c1-27-17-9-5-4-8-16(17)24-11-10-22-19(20(24)26)28-13-18(25)23-12-14-6-2-3-7-15(14)21/h2-11H,12-13H2,1H3,(H,23,25)
InChIKeyFMRRUDNJNLXZDF-UHFFFAOYSA-N
MW415.90 g/mol
LogP3.30
Rot. Bonds7

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

N-[(2-chlorophenyl)methyl]-2-[4-(2-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide (PubChem CID 18579496) has the molecular formula C20H18ClN3O3S and a molecular weight of 415.90 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[4-(2-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[4-(2-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
PubChem CID18579496
Molecular FormulaC20H18ClN3O3S
Molecular Weight415.90 g/mol
Exact Mass415.08
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[4-(2-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
SMILESCOc1ccccc1-n1ccnc(SCC(=O)NCc2ccccc2Cl)c1=O
InChIInChI=1S/C20H18ClN3O3S/c1-27-17-9-5-4-8-16(17)24-11-10-22-19(20(24)26)28-13-18(25)23-12-14-6-2-3-7-15(14)21/h2-11H,12-13H2,1H3,(H,23,25)
InChIKeyFMRRUDNJNLXZDF-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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Related Compounds

3-(4-Chloro-phenyl)-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-acrylamide; oxalic acid
CID 11102013
N-[(4-chlorophenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 2653638
1-[1-[(2-Chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2-methoxyphenyl)urea
CID 1450082
N-(2-{[(2-Chlorophenyl)methyl]sulfanyl}ethyl)-2-[N-(2-methoxyphenyl)methanesulfonamido]acetamide
CID 2287010
N-(2-chlorobenzyl)-N'-(2-methoxyphenyl)ethanediamide
CID 2291210
N-(2-{[(4-Chlorophenyl)methyl]sulfanyl}ethyl)-2-[N-(2-methoxyphenyl)methanesulfonamido]acetamide
CID 2911605
N-cyclohexyl-2-[4-(2-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 7386568
2-((4-(2-methoxyphenyl)-3-oxo-3,4-dihydropyrazin-2-yl)thio)-N-phenethylacetamide
CID 7386571
N-(5-Chloro-2-methoxyphenyl)-2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-YL)sulfanyl]acetamide
CID 16008559
2-((4-(3-chloro-4-methoxyphenyl)-3-oxo-3,4-dihydropyrazin-2-yl)thio)-N-(4-methylbenzyl)acetamide
CID 16813643
N-(5-chloro-2-methoxyphenyl)-2-((1-(2-(dimethylamino)ethyl)-2-oxo-1,2,5,6,7,8-hexahydroquinazolin-4-yl)thio)acetamide
CID 18578760
2-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 24980509

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[4-(2-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[4-(2-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide (CID 18579496) is N-[(2-chlorophenyl)methyl]-2-[4-(2-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[4-(2-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[4-(2-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide is COc1ccccc1-n1ccnc(SCC(=O)NCc2ccccc2Cl)c1=O.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[4-(2-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The InChIKey is FMRRUDNJNLXZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3S/c1-27-17-9-5-4-8-16(17)24-11-10-22-19(20(24)26)28-13-18(25)23-12-14-6-2-3-7-15(14)21/h2-11H,12-13H2,1H3,(H,23,25).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[4-(2-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
N-[(2-chlorophenyl)methyl]-2-[4-(2-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-(2-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide is sourced from PubChem (CID 18579496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).