N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-cyclohexylacetamide

C22H24N4OS — CID 123810383

IUPACN-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-cyclohexylacetamide
SMILESNc1ccc(-c2cnc(NC(=O)CC3CCCCC3)c(-c3cccs3)n2)cc1
InChIInChI=1S/C22H24N4OS/c23-17-10-8-16(9-11-17)18-14-24-22(21(25-18)19-7-4-12-28-19)26-20(27)13-15-5-2-1-3-6-15/h4,7-12,14-15H,1-3,5-6,13,23H2,(H,24,26,27)
InChIKeyQIBPOHVNEQKIPN-UHFFFAOYSA-N
MW392.53 g/mol
LogP5.36
Rot. Bonds5

About N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-cyclohexylacetamide

N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-cyclohexylacetamide (PubChem CID 123810383) has the molecular formula C22H24N4OS and a molecular weight of 392.53 g/mol. Its IUPAC name is N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-cyclohexylacetamide
PubChem CID123810383
Molecular FormulaC22H24N4OS
Molecular Weight392.53 g/mol
Exact Mass392.17
IUPAC NameN-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-cyclohexylacetamide
SMILESNc1ccc(-c2cnc(NC(=O)CC3CCCCC3)c(-c3cccs3)n2)cc1
InChIInChI=1S/C22H24N4OS/c23-17-10-8-16(9-11-17)18-14-24-22(21(25-18)19-7-4-12-28-19)26-20(27)13-15-5-2-1-3-6-15/h4,7-12,14-15H,1-3,5-6,13,23H2,(H,24,26,27)
InChIKeyQIBPOHVNEQKIPN-UHFFFAOYSA-N
XLogP5.36
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.53
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-cyclohexylacetamide?
The IUPAC name of N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-cyclohexylacetamide (CID 123810383) is N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-cyclohexylacetamide.
What is the SMILES notation for N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-cyclohexylacetamide?
The canonical SMILES for N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-cyclohexylacetamide is Nc1ccc(-c2cnc(NC(=O)CC3CCCCC3)c(-c3cccs3)n2)cc1.
What is the InChIKey of N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-cyclohexylacetamide?
The InChIKey is QIBPOHVNEQKIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4OS/c23-17-10-8-16(9-11-17)18-14-24-22(21(25-18)19-7-4-12-28-19)26-20(27)13-15-5-2-1-3-6-15/h4,7-12,14-15H,1-3,5-6,13,23H2,(H,24,26,27).
What are the key properties of N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-cyclohexylacetamide?
N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-cyclohexylacetamide has a molecular weight of 392.53 g/mol, XLogP of 5.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-cyclohexylacetamide is sourced from PubChem (CID 123810383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).