N-[5-(4-hydroxyphenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-(4-methylphenyl)acetamide

C23H19N3O2S — CID 143001238

IUPACN-[5-(4-hydroxyphenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2ncc(-c3ccc(O)cc3)nc2-c2cccs2)cc1
InChIInChI=1S/C23H19N3O2S/c1-15-4-6-16(7-5-15)13-21(28)26-23-22(20-3-2-12-29-20)25-19(14-24-23)17-8-10-18(27)11-9-17/h2-12,14,27H,13H2,1H3,(H,24,26,28)
InChIKeyBYYXSHYTEHPAOE-UHFFFAOYSA-N
MW401.49 g/mol
LogP5.07
Rot. Bonds5

About N-[5-(4-hydroxyphenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-(4-methylphenyl)acetamide

N-[5-(4-hydroxyphenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-(4-methylphenyl)acetamide (PubChem CID 143001238) has the molecular formula C23H19N3O2S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-[5-(4-hydroxyphenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[5-(4-hydroxyphenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-(4-methylphenyl)acetamide
PubChem CID143001238
Molecular FormulaC23H19N3O2S
Molecular Weight401.49 g/mol
Exact Mass401.12
IUPAC NameN-[5-(4-hydroxyphenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2ncc(-c3ccc(O)cc3)nc2-c2cccs2)cc1
InChIInChI=1S/C23H19N3O2S/c1-15-4-6-16(7-5-15)13-21(28)26-23-22(20-3-2-12-29-20)25-19(14-24-23)17-8-10-18(27)11-9-17/h2-12,14,27H,13H2,1H3,(H,24,26,28)
InChIKeyBYYXSHYTEHPAOE-UHFFFAOYSA-N
XLogP5.07
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.49
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-thiophen-2-ylpyrazin-2-yl]acetamide
CID 123393100
2-(4-chlorophenyl)-N-[3-(4-hydroxyphenyl)-5-phenylpyrazin-2-yl]acetamide
CID 136624974
2-(4-hydroxyphenyl)-N-[3-(4-hydroxyphenyl)-5-(4-nitrosophenyl)pyrazin-2-yl]acetamide
CID 143001007
N-[5-(4-hydroxyphenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-methylphenyl)acetamide
CID 143001080
2-(4-bromophenyl)-N-[5-(4-fluorophenyl)-3-(4-hydroxyphenyl)pyrazin-2-yl]acetamide
CID 140639417
N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-methylbutanamide
CID 123965461
ethane;N-(3-ethyl-5-phenylpyrazin-2-yl)-2-(4-methylphenyl)acetamide
CID 143000025
N-[5-[4-(hydroxymethyl)phenyl]-3-(2-methylpropyl)pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide
CID 123569135
2-cyclohexyl-N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]acetamide
CID 70830209
N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-cyclohexylacetamide
CID 123810383
2-(4-hydroxyphenyl)-N-[3-(2-methylpropyl)-5-(4-phosphanylphenyl)pyrazin-2-yl]acetamide
CID 143000180
N-[3-(2-cyclohexylethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-(4-methylphenyl)acetamide;ethane
CID 143000636

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-hydroxyphenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[5-(4-hydroxyphenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-(4-methylphenyl)acetamide (CID 143001238) is N-[5-(4-hydroxyphenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[5-(4-hydroxyphenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[5-(4-hydroxyphenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)Nc2ncc(-c3ccc(O)cc3)nc2-c2cccs2)cc1.
What is the InChIKey of N-[5-(4-hydroxyphenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-(4-methylphenyl)acetamide?
The InChIKey is BYYXSHYTEHPAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2S/c1-15-4-6-16(7-5-15)13-21(28)26-23-22(20-3-2-12-29-20)25-19(14-24-23)17-8-10-18(27)11-9-17/h2-12,14,27H,13H2,1H3,(H,24,26,28).
What are the key properties of N-[5-(4-hydroxyphenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-(4-methylphenyl)acetamide?
N-[5-(4-hydroxyphenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-(4-methylphenyl)acetamide has a molecular weight of 401.49 g/mol, XLogP of 5.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-hydroxyphenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 143001238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).