N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide

C15H15N3O3S — CID 135656286

IUPACN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide
SMILESCOc1cc(/C=N/NC(=O)CSc2ccccn2)ccc1O
InChIInChI=1S/C15H15N3O3S/c1-21-13-8-11(5-6-12(13)19)9-17-18-14(20)10-22-15-4-2-3-7-16-15/h2-9,19H,10H2,1H3,(H,18,20)/b17-9+
InChIKeyIGVAWMVHQNCPLH-RQZCQDPDSA-N
MW317.37 g/mol
LogP2.04
Rot. Bonds6

About N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide

N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide (PubChem CID 135656286) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide
PubChem CID135656286
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC NameN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide
SMILESCOc1cc(/C=N/NC(=O)CSc2ccccn2)ccc1O
InChIInChI=1S/C15H15N3O3S/c1-21-13-8-11(5-6-12(13)19)9-17-18-14(20)10-22-15-4-2-3-7-16-15/h2-9,19H,10H2,1H3,(H,18,20)/b17-9+
InChIKeyIGVAWMVHQNCPLH-RQZCQDPDSA-N
XLogP2.04
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N'-(4'-Hydroxy-3-methoxybenzylidene)isonicotinohydrazide (3g)
CID 135412163
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide
CID 6867617
N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide
CID 6884666
N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide
CID 6884719
N'-(3-ethoxy-4-hydroxybenzylidene)isonicotinohydrazide
CID 135642244
N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide
CID 5335876
N'-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2-(pyridin-2-ylsulfanyl)acetohydrazide
CID 135486010
(E)-N'-(3-hydroxy-4-methoxybenzylidene)isonicotinohydrazide
CID 9554777
N'-{(E)-[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]methylidene}-2-(pyridin-2-ylsulfanyl)propanehydrazide
CID 20846830
2-Cyano-3-[4-hydroxy-3-methoxy-5-(pyridin-2-ylsulfanylmethyl)-phenyl]-acrylamide
CID 44345316
2-pyridin-4-ylsulfanyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 56666335
N'-(4-hydroxy-3-methoxybenzylidene)isonicotinohydrazide hydrate
CID 135472547

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide (CID 135656286) is N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide is COc1cc(/C=N/NC(=O)CSc2ccccn2)ccc1O.
What is the InChIKey of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is IGVAWMVHQNCPLH-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-21-13-8-11(5-6-12(13)19)9-17-18-14(20)10-22-15-4-2-3-7-16-15/h2-9,19H,10H2,1H3,(H,18,20)/b17-9+.
What are the key properties of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide?
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 317.37 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 135656286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).