N-[1-(3-methoxyphenyl)ethyl]-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide

C21H21N3O3S — CID 53130127

IUPACN-[1-(3-methoxyphenyl)ethyl]-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide
SMILESCOc1cccc(C(C)NC(=O)CSc2nccnc2Oc2ccccc2)c1
InChIInChI=1S/C21H21N3O3S/c1-15(16-7-6-10-18(13-16)26-2)24-19(25)14-28-21-20(22-11-12-23-21)27-17-8-4-3-5-9-17/h3-13,15H,14H2,1-2H3,(H,24,25)
InChIKeyVUNWZIUVDJCRFO-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.25
Rot. Bonds8

About N-[1-(3-methoxyphenyl)ethyl]-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide

N-[1-(3-methoxyphenyl)ethyl]-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide (PubChem CID 53130127) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)ethyl]-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)ethyl]-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide
PubChem CID53130127
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC NameN-[1-(3-methoxyphenyl)ethyl]-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide
SMILESCOc1cccc(C(C)NC(=O)CSc2nccnc2Oc2ccccc2)c1
InChIInChI=1S/C21H21N3O3S/c1-15(16-7-6-10-18(13-16)26-2)24-19(25)14-28-21-20(22-11-12-23-21)27-17-8-4-3-5-9-17/h3-13,15H,14H2,1-2H3,(H,24,25)
InChIKeyVUNWZIUVDJCRFO-UHFFFAOYSA-N
XLogP4.25
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-[3-(2-methylphenyl)sulfanylpyrazin-2-yl]sulfanylacetamide
CID 92897245
N-(2-methoxyethyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide
CID 53130109
N-(3-methoxypropyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide
CID 53130117
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-[3-(2-methylphenoxy)pyrazin-2-yl]sulfanylacetamide
CID 95092363
N-[1-(2,4-dimethylphenyl)ethyl]-2-[3-(2-methylphenoxy)pyrazin-2-yl]sulfanylacetamide
CID 53130191
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(3-phenylsulfanylpyrazin-2-yl)sulfanylacetamide
CID 92897232
N-[(1S)-1-phenylethyl]-2-(3-phenylsulfanylpyrazin-2-yl)sulfanylacetamide
CID 92897230
N-[1-(4-methoxyphenyl)ethyl]-2-[3-(2-methylphenyl)sulfanylpyrazin-2-yl]sulfanylacetamide
CID 50836290
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[3-(2-methylphenyl)sulfanylpyrazin-2-yl]sulfanylacetamide
CID 92897244
2-(3-methoxyphenoxy)-N-(1-phenylethyl)acetamide
CID 19204047
N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide
CID 40636094
2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(1-phenylethyl)acetamide
CID 16518911

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)ethyl]-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide?
The IUPAC name of N-[1-(3-methoxyphenyl)ethyl]-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide (CID 53130127) is N-[1-(3-methoxyphenyl)ethyl]-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[1-(3-methoxyphenyl)ethyl]-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide?
The canonical SMILES for N-[1-(3-methoxyphenyl)ethyl]-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide is COc1cccc(C(C)NC(=O)CSc2nccnc2Oc2ccccc2)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)ethyl]-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide?
The InChIKey is VUNWZIUVDJCRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-15(16-7-6-10-18(13-16)26-2)24-19(25)14-28-21-20(22-11-12-23-21)27-17-8-4-3-5-9-17/h3-13,15H,14H2,1-2H3,(H,24,25).
What are the key properties of N-[1-(3-methoxyphenyl)ethyl]-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide?
N-[1-(3-methoxyphenyl)ethyl]-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide has a molecular weight of 395.48 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)ethyl]-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide is sourced from PubChem (CID 53130127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).