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

C15H14N4OS — CID 63380899

IUPACN-(2-cyanophenyl)-4-pyrazin-2-ylsulfanylbutanamide
SMILESN#Cc1ccccc1NC(=O)CCCSc1cnccn1
InChIInChI=1S/C15H14N4OS/c16-10-12-4-1-2-5-13(12)19-14(20)6-3-9-21-15-11-17-7-8-18-15/h1-2,4-5,7-8,11H,3,6,9H2,(H,19,20)
InChIKeyBVCIUKWXWPALFQ-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.86
Rot. Bonds6

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

N-(2-cyanophenyl)-4-pyrazin-2-ylsulfanylbutanamide (PubChem CID 63380899) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(2-cyanophenyl)-4-pyrazin-2-ylsulfanylbutanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-4-pyrazin-2-ylsulfanylbutanamide
PubChem CID63380899
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC NameN-(2-cyanophenyl)-4-pyrazin-2-ylsulfanylbutanamide
SMILESN#Cc1ccccc1NC(=O)CCCSc1cnccn1
InChIInChI=1S/C15H14N4OS/c16-10-12-4-1-2-5-13(12)19-14(20)6-3-9-21-15-11-17-7-8-18-15/h1-2,4-5,7-8,11H,3,6,9H2,(H,19,20)
InChIKeyBVCIUKWXWPALFQ-UHFFFAOYSA-N
XLogP2.86
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-pyrazin-2-ylsulfanylbutanehydrazide
CID 63580949
N-(2-cyanophenyl)-3-pyridin-3-ylpropanamide
CID 110864606
N-(4-aminophenyl)-4-pyrazin-2-ylsulfanylbutanamide
CID 63381175
N-(2-cyanophenyl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide
CID 106922534
N-(2-cyanophenyl)-3-hydroxypropanamide
CID 43165059
N-(2-cyanophenyl)-4-(2-methylpropylsulfanyl)butanamide
CID 28982248
N-(2-cyanophenyl)-4-(2-fluorophenoxy)butanamide
CID 43824295
N-(2-cyanophenyl)-3-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide
CID 24589582
methyl 9-(2-cyanoanilino)-9-oxononanoate
CID 169087837
N-(3-amino-4-fluorophenyl)-4-pyrazin-2-ylsulfanylbutanamide
CID 63380792
3-[2-(2-cyanoanilino)-2-oxoethyl]sulfanylpropanoic acid
CID 43237268
N-(2-cyanophenyl)-3-(3-methylbutylsulfanyl)propanamide
CID 107749554

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-4-pyrazin-2-ylsulfanylbutanamide?
The IUPAC name of N-(2-cyanophenyl)-4-pyrazin-2-ylsulfanylbutanamide (CID 63380899) is N-(2-cyanophenyl)-4-pyrazin-2-ylsulfanylbutanamide.
What is the SMILES notation for N-(2-cyanophenyl)-4-pyrazin-2-ylsulfanylbutanamide?
The canonical SMILES for N-(2-cyanophenyl)-4-pyrazin-2-ylsulfanylbutanamide is N#Cc1ccccc1NC(=O)CCCSc1cnccn1.
What is the InChIKey of N-(2-cyanophenyl)-4-pyrazin-2-ylsulfanylbutanamide?
The InChIKey is BVCIUKWXWPALFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c16-10-12-4-1-2-5-13(12)19-14(20)6-3-9-21-15-11-17-7-8-18-15/h1-2,4-5,7-8,11H,3,6,9H2,(H,19,20).
What are the key properties of N-(2-cyanophenyl)-4-pyrazin-2-ylsulfanylbutanamide?
N-(2-cyanophenyl)-4-pyrazin-2-ylsulfanylbutanamide has a molecular weight of 298.37 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-4-pyrazin-2-ylsulfanylbutanamide is sourced from PubChem (CID 63380899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).