N-(4-aminophenyl)-4-pyrazin-2-ylsulfanylbutanamide

C14H16N4OS — CID 63381175

IUPACN-(4-aminophenyl)-4-pyrazin-2-ylsulfanylbutanamide
SMILESNc1ccc(NC(=O)CCCSc2cnccn2)cc1
InChIInChI=1S/C14H16N4OS/c15-11-3-5-12(6-4-11)18-13(19)2-1-9-20-14-10-16-7-8-17-14/h3-8,10H,1-2,9,15H2,(H,18,19)
InChIKeyBBBPJRUUWBYNNR-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.57
Rot. Bonds6

About N-(4-aminophenyl)-4-pyrazin-2-ylsulfanylbutanamide

N-(4-aminophenyl)-4-pyrazin-2-ylsulfanylbutanamide (PubChem CID 63381175) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is N-(4-aminophenyl)-4-pyrazin-2-ylsulfanylbutanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-4-pyrazin-2-ylsulfanylbutanamide
PubChem CID63381175
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC NameN-(4-aminophenyl)-4-pyrazin-2-ylsulfanylbutanamide
SMILESNc1ccc(NC(=O)CCCSc2cnccn2)cc1
InChIInChI=1S/C14H16N4OS/c15-11-3-5-12(6-4-11)18-13(19)2-1-9-20-14-10-16-7-8-17-14/h3-8,10H,1-2,9,15H2,(H,18,19)
InChIKeyBBBPJRUUWBYNNR-UHFFFAOYSA-N
XLogP2.57
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-fluorophenyl)-4-pyrazin-2-ylsulfanylbutanamide
CID 63380792
4-pyrazin-2-ylsulfanylbutanehydrazide
CID 63580949
1-phenyl-4-pyrazin-2-ylsulfanylbutan-1-one
CID 63381429
4-amino-N-(4-aminophenyl)butanamide
CID 90105668
N-(3-aminophenyl)-4-pyrimidin-4-ylsulfanylbutanamide
CID 63697630
N-(3-amino-4-methylphenyl)-2-pyrazin-2-ylsulfanylacetamide
CID 63381090
N-(4-aminophenyl)pyrazine-2-carboxamide
CID 16775114
N-(4-aminophenyl)-4-pentylsulfanylbutanamide
CID 107748509
5-pyrazin-2-ylsulfanylpentan-1-ol
CID 63380763
N-[4-(4-aminophenyl)phenyl]pentanamide
CID 90390735
N-(4-amino-2-methylphenyl)-4-pyrimidin-4-ylsulfanylbutanamide
CID 63695851
N-(4-aminophenyl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 28555537

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-4-pyrazin-2-ylsulfanylbutanamide?
The IUPAC name of N-(4-aminophenyl)-4-pyrazin-2-ylsulfanylbutanamide (CID 63381175) is N-(4-aminophenyl)-4-pyrazin-2-ylsulfanylbutanamide.
What is the SMILES notation for N-(4-aminophenyl)-4-pyrazin-2-ylsulfanylbutanamide?
The canonical SMILES for N-(4-aminophenyl)-4-pyrazin-2-ylsulfanylbutanamide is Nc1ccc(NC(=O)CCCSc2cnccn2)cc1.
What is the InChIKey of N-(4-aminophenyl)-4-pyrazin-2-ylsulfanylbutanamide?
The InChIKey is BBBPJRUUWBYNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c15-11-3-5-12(6-4-11)18-13(19)2-1-9-20-14-10-16-7-8-17-14/h3-8,10H,1-2,9,15H2,(H,18,19).
What are the key properties of N-(4-aminophenyl)-4-pyrazin-2-ylsulfanylbutanamide?
N-(4-aminophenyl)-4-pyrazin-2-ylsulfanylbutanamide has a molecular weight of 288.38 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-4-pyrazin-2-ylsulfanylbutanamide is sourced from PubChem (CID 63381175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).