N-(3,4-dimethoxyphenyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide

C20H19N3O4S — CID 53130093

IUPACN-(3,4-dimethoxyphenyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2nccnc2Oc2ccccc2)cc1OC
InChIInChI=1S/C20H19N3O4S/c1-25-16-9-8-14(12-17(16)26-2)23-18(24)13-28-20-19(21-10-11-22-20)27-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,23,24)
InChIKeyBVDPKKVGJBDQQJ-UHFFFAOYSA-N
MW397.46 g/mol
LogP4.02
Rot. Bonds8

About N-(3,4-dimethoxyphenyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide

N-(3,4-dimethoxyphenyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide (PubChem CID 53130093) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide
PubChem CID53130093
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC NameN-(3,4-dimethoxyphenyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2nccnc2Oc2ccccc2)cc1OC
InChIInChI=1S/C20H19N3O4S/c1-25-16-9-8-14(12-17(16)26-2)23-18(24)13-28-20-19(21-10-11-22-20)27-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,23,24)
InChIKeyBVDPKKVGJBDQQJ-UHFFFAOYSA-N
XLogP4.02
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-phenoxypyrazin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 53130118
N-(3,4-dimethoxyphenyl)-2-[[5-(4-phenoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 3613069
N-(2-methoxyethyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide
CID 53130109
N-(4-fluoro-3-methylphenyl)-2-[3-(2-methylphenoxy)pyrazin-2-yl]sulfanylacetamide
CID 53130184
N-[1-(3-methoxyphenyl)ethyl]-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide
CID 53130127
N-(3-fluoro-4-methylphenyl)-2-[3-(4-methylphenoxy)pyrazin-2-yl]sulfanylacetamide
CID 53130059
N-(3,4-dimethoxyphenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 2500878
N-(3,4-dimethoxyphenyl)-2-[4-(3-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 18591777
2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide
CID 42248775
N-(3,4-dimethoxyphenyl)-2-[[2-(4-fluorophenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]acetamide
CID 20852122
2-(3-phenoxypyrazin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)benzamide
CID 50835924
N-(3,4-dimethoxyphenyl)-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
CID 16813592

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide (CID 53130093) is N-(3,4-dimethoxyphenyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide is COc1ccc(NC(=O)CSc2nccnc2Oc2ccccc2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide?
The InChIKey is BVDPKKVGJBDQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-25-16-9-8-14(12-17(16)26-2)23-18(24)13-28-20-19(21-10-11-22-20)27-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,23,24).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide?
N-(3,4-dimethoxyphenyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide has a molecular weight of 397.46 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide is sourced from PubChem (CID 53130093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).