N-(2-methoxyethyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide

C15H17N3O3S — CID 53130109

IUPACN-(2-methoxyethyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide
SMILESCOCCNC(=O)CSc1nccnc1Oc1ccccc1
InChIInChI=1S/C15H17N3O3S/c1-20-10-9-16-13(19)11-22-15-14(17-7-8-18-15)21-12-5-3-2-4-6-12/h2-8H,9-11H2,1H3,(H,16,19)
InChIKeyFCKFCSBHYVQPLM-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.12
Rot. Bonds8

About N-(2-methoxyethyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide

N-(2-methoxyethyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide (PubChem CID 53130109) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide
PubChem CID53130109
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC NameN-(2-methoxyethyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide
SMILESCOCCNC(=O)CSc1nccnc1Oc1ccccc1
InChIInChI=1S/C15H17N3O3S/c1-20-10-9-16-13(19)11-22-15-14(17-7-8-18-15)21-12-5-3-2-4-6-12/h2-8H,9-11H2,1H3,(H,16,19)
InChIKeyFCKFCSBHYVQPLM-UHFFFAOYSA-N
XLogP2.12
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxypropyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide
CID 53130117
2-[(3-amino-2-pyridinyl)sulfanyl]-N-(2-methoxyethyl)acetamide
CID 43300619
N-(3,4-dimethoxyphenyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide
CID 53130093
N-(2-methoxyethyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7133990
2-(2-chlorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide
CID 112778862
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methoxyethyl)acetamide
CID 43299918
N-[[5-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 7205193
N-(2-phenoxyethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 8535303
N-(2-methoxyethyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7658202
N-(2-methoxyethyl)-6-phenoxypyridine-3-carboxamide
CID 87000425
N-(2-methoxyethyl)-3-(2-phenoxyanilino)propanamide
CID 109015125
1-(4-methoxybutyl)-3-(2-phenoxy-3-pyridinyl)urea
CID 47041319

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide?
The IUPAC name of N-(2-methoxyethyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide (CID 53130109) is N-(2-methoxyethyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide is COCCNC(=O)CSc1nccnc1Oc1ccccc1.
What is the InChIKey of N-(2-methoxyethyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide?
The InChIKey is FCKFCSBHYVQPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-20-10-9-16-13(19)11-22-15-14(17-7-8-18-15)21-12-5-3-2-4-6-12/h2-8H,9-11H2,1H3,(H,16,19).
What are the key properties of N-(2-methoxyethyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide?
N-(2-methoxyethyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide has a molecular weight of 319.39 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide is sourced from PubChem (CID 53130109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).