N-(4-cyclopentylsulfanylphenyl)-3-pyrazin-2-ylprop-2-enamide

C18H19N3OS — CID 71892731

IUPACN-(4-cyclopentylsulfanylphenyl)-3-pyrazin-2-ylprop-2-enamide
SMILESO=C(C=Cc1cnccn1)Nc1ccc(SC2CCCC2)cc1
InChIInChI=1S/C18H19N3OS/c22-18(10-7-15-13-19-11-12-20-15)21-14-5-8-17(9-6-14)23-16-3-1-2-4-16/h5-13,16H,1-4H2,(H,21,22)
InChIKeyJMIDULIBBHHIGX-UHFFFAOYSA-N
MW325.44 g/mol
LogP4.16
Rot. Bonds5

About N-(4-cyclopentylsulfanylphenyl)-3-pyrazin-2-ylprop-2-enamide

N-(4-cyclopentylsulfanylphenyl)-3-pyrazin-2-ylprop-2-enamide (PubChem CID 71892731) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is N-(4-cyclopentylsulfanylphenyl)-3-pyrazin-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-(4-cyclopentylsulfanylphenyl)-3-pyrazin-2-ylprop-2-enamide
PubChem CID71892731
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC NameN-(4-cyclopentylsulfanylphenyl)-3-pyrazin-2-ylprop-2-enamide
SMILESO=C(C=Cc1cnccn1)Nc1ccc(SC2CCCC2)cc1
InChIInChI=1S/C18H19N3OS/c22-18(10-7-15-13-19-11-12-20-15)21-14-5-8-17(9-6-14)23-16-3-1-2-4-16/h5-13,16H,1-4H2,(H,21,22)
InChIKeyJMIDULIBBHHIGX-UHFFFAOYSA-N
XLogP4.16
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-(azepane-1-carbonyl)phenyl]-3-pyrazin-2-ylprop-2-enamide
CID 71889289
N-(4-cyclopentylsulfanylphenyl)cyclopentanecarboxamide
CID 37400543
(E)-N-(2-piperidin-1-ylphenyl)-3-pyrazin-2-ylprop-2-enamide
CID 75363586
N-[3-(piperidin-1-ylmethyl)phenyl]-3-pyrazin-2-ylprop-2-enamide
CID 71889315
2-(5-amino-2-pyridinyl)-N-(4-cyclopentylsulfanylphenyl)acetamide
CID 120623308
2-chloro-N-(4-cyclopentylsulfanylphenyl)acetamide
CID 43700029
N-(4-cyclopentylsulfanylphenyl)-4-hydroxybutanamide
CID 79200166
1-tert-butyl-3-(4-cyclopentylsulfanylphenyl)urea
CID 112840313
3-amino-N-(4-cyclopentylsulfanylphenyl)propanamide
CID 43710113
(2R)-2-amino-N-(4-cyclopentylsulfanylphenyl)propanamide;hydrochloride
CID 119293414
tert-butyl 3-pyrazin-2-ylprop-2-enoate
CID 72519066
N-(4-cyclopentylsulfanylphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102778093

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentylsulfanylphenyl)-3-pyrazin-2-ylprop-2-enamide?
The IUPAC name of N-(4-cyclopentylsulfanylphenyl)-3-pyrazin-2-ylprop-2-enamide (CID 71892731) is N-(4-cyclopentylsulfanylphenyl)-3-pyrazin-2-ylprop-2-enamide.
What is the SMILES notation for N-(4-cyclopentylsulfanylphenyl)-3-pyrazin-2-ylprop-2-enamide?
The canonical SMILES for N-(4-cyclopentylsulfanylphenyl)-3-pyrazin-2-ylprop-2-enamide is O=C(C=Cc1cnccn1)Nc1ccc(SC2CCCC2)cc1.
What is the InChIKey of N-(4-cyclopentylsulfanylphenyl)-3-pyrazin-2-ylprop-2-enamide?
The InChIKey is JMIDULIBBHHIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c22-18(10-7-15-13-19-11-12-20-15)21-14-5-8-17(9-6-14)23-16-3-1-2-4-16/h5-13,16H,1-4H2,(H,21,22).
What are the key properties of N-(4-cyclopentylsulfanylphenyl)-3-pyrazin-2-ylprop-2-enamide?
N-(4-cyclopentylsulfanylphenyl)-3-pyrazin-2-ylprop-2-enamide has a molecular weight of 325.44 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentylsulfanylphenyl)-3-pyrazin-2-ylprop-2-enamide is sourced from PubChem (CID 71892731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).