N-(4-amino-2-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropanamide

C14H16N4O2S — CID 63381129

IUPACN-(4-amino-2-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropanamide
SMILESCOc1cc(N)ccc1NC(=O)C(C)Sc1cnccn1
InChIInChI=1S/C14H16N4O2S/c1-9(21-13-8-16-5-6-17-13)14(19)18-11-4-3-10(15)7-12(11)20-2/h3-9H,15H2,1-2H3,(H,18,19)
InChIKeyCHTDFSATCZKVFK-UHFFFAOYSA-N
MW304.38 g/mol
LogP2.19
Rot. Bonds5

About N-(4-amino-2-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropanamide

N-(4-amino-2-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropanamide (PubChem CID 63381129) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropanamide
PubChem CID63381129
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC NameN-(4-amino-2-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropanamide
SMILESCOc1cc(N)ccc1NC(=O)C(C)Sc1cnccn1
InChIInChI=1S/C14H16N4O2S/c1-9(21-13-8-16-5-6-17-13)14(19)18-11-4-3-10(15)7-12(11)20-2/h3-9H,15H2,1-2H3,(H,18,19)
InChIKeyCHTDFSATCZKVFK-UHFFFAOYSA-N
XLogP2.19
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropanamide
CID 63380463
N-(4-amino-2-methoxyphenyl)-2-phenylsulfanylpropanamide
CID 43104129
N-(4-amino-2-methoxyphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide
CID 66104221
N-(4-amino-2-methoxyphenyl)-2-(oxan-4-ylsulfanyl)propanamide
CID 62995880
N-(4-amino-2-methoxyphenyl)-2-(4-methoxyphenoxy)propanamide
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N-(5-amino-2-fluorophenyl)-2-pyrimidin-4-ylsulfanylpropanamide
CID 63698509
N-(4-amino-2-methoxyphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)propanamide
CID 79177188
N-(4-amino-2-methoxyphenyl)-2-[cyclopropyl(methyl)amino]propanamide
CID 43264583
N-(4-amino-2-methoxyphenyl)-2-[methyl(2-methylpropyl)amino]propanamide
CID 43271750
N-(4-amino-2-methoxyphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)propanamide
CID 66275206
N-(4-amino-2-methoxyphenyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide
CID 43373847
N-(4-amino-2-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 54852451

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropanamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropanamide (CID 63381129) is N-(4-amino-2-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropanamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropanamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropanamide is COc1cc(N)ccc1NC(=O)C(C)Sc1cnccn1.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropanamide?
The InChIKey is CHTDFSATCZKVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-9(21-13-8-16-5-6-17-13)14(19)18-11-4-3-10(15)7-12(11)20-2/h3-9H,15H2,1-2H3,(H,18,19).
What are the key properties of N-(4-amino-2-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropanamide?
N-(4-amino-2-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropanamide has a molecular weight of 304.38 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropanamide is sourced from PubChem (CID 63381129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).