2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-thiophen-2-ylpyrazin-2-yl]acetamide

C23H18FN3O2S — CID 123393100

IUPAC2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-thiophen-2-ylpyrazin-2-yl]acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1ncc(-c2ccc(CO)cc2)nc1-c1cccs1
InChIInChI=1S/C23H18FN3O2S/c24-18-9-5-15(6-10-18)12-21(29)27-23-22(20-2-1-11-30-20)26-19(13-25-23)17-7-3-16(14-28)4-8-17/h1-11,13,28H,12,14H2,(H,25,27,29)
InChIKeyZDYQZYROCHGPNP-UHFFFAOYSA-N
MW419.48 g/mol
LogP4.68
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-thiophen-2-ylpyrazin-2-yl]acetamide

2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-thiophen-2-ylpyrazin-2-yl]acetamide (PubChem CID 123393100) has the molecular formula C23H18FN3O2S and a molecular weight of 419.48 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-thiophen-2-ylpyrazin-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-thiophen-2-ylpyrazin-2-yl]acetamide
PubChem CID123393100
Molecular FormulaC23H18FN3O2S
Molecular Weight419.48 g/mol
Exact Mass419.11
IUPAC Name2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-thiophen-2-ylpyrazin-2-yl]acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1ncc(-c2ccc(CO)cc2)nc1-c1cccs1
InChIInChI=1S/C23H18FN3O2S/c24-18-9-5-15(6-10-18)12-21(29)27-23-22(20-2-1-11-30-20)26-19(13-25-23)17-7-3-16(14-28)4-8-17/h1-11,13,28H,12,14H2,(H,25,27,29)
InChIKeyZDYQZYROCHGPNP-UHFFFAOYSA-N
XLogP4.68
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(4-hydroxyphenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-(4-methylphenyl)acetamide
CID 143001238
2-cyclohexyl-N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]acetamide
CID 70830209
N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-methylbutanamide
CID 123965461
2-(4-bromophenyl)-1-[[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]amino]ethanol
CID 163639680
2-(4-bromophenyl)-N-[5-(4-fluorophenyl)-3-(4-hydroxyphenyl)pyrazin-2-yl]acetamide
CID 140639417
N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-cyclohexylacetamide
CID 123810383
N-[3-ethyl-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-iodophenyl)acetamide
CID 70830199
N-[5-[4-(hydroxymethyl)phenyl]-3-(2-methylpropyl)pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide
CID 123569135
N-[5-(4-fluorophenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide
CID 123858984
2-(4-chlorophenyl)-N-[3-(4-hydroxyphenyl)-5-phenylpyrazin-2-yl]acetamide
CID 136624974
N-[3-cyclohexyl-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-2-phenylacetamide
CID 123244301
2-(4-bromophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;2-(4-chlorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide
CID 159222419

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-thiophen-2-ylpyrazin-2-yl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-thiophen-2-ylpyrazin-2-yl]acetamide (CID 123393100) is 2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-thiophen-2-ylpyrazin-2-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-thiophen-2-ylpyrazin-2-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-thiophen-2-ylpyrazin-2-yl]acetamide is O=C(Cc1ccc(F)cc1)Nc1ncc(-c2ccc(CO)cc2)nc1-c1cccs1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-thiophen-2-ylpyrazin-2-yl]acetamide?
The InChIKey is ZDYQZYROCHGPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O2S/c24-18-9-5-15(6-10-18)12-21(29)27-23-22(20-2-1-11-30-20)26-19(13-25-23)17-7-3-16(14-28)4-8-17/h1-11,13,28H,12,14H2,(H,25,27,29).
What are the key properties of 2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-thiophen-2-ylpyrazin-2-yl]acetamide?
2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-thiophen-2-ylpyrazin-2-yl]acetamide has a molecular weight of 419.48 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-thiophen-2-ylpyrazin-2-yl]acetamide is sourced from PubChem (CID 123393100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).