N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide

C16H17N3O3S — CID 5335876

IUPACN-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide
SMILESCCOc1ccc(/C=N/NC(=O)CSc2ccccn2)cc1O
InChIInChI=1S/C16H17N3O3S/c1-2-22-14-7-6-12(9-13(14)20)10-18-19-15(21)11-23-16-5-3-4-8-17-16/h3-10,20H,2,11H2,1H3,(H,19,21)/b18-10+
InChIKeyAVDRYEPOPWFEDG-VCHYOVAHSA-N
MW331.40 g/mol
LogP2.43
Rot. Bonds7

About N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide

N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide (PubChem CID 5335876) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide
PubChem CID5335876
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide
SMILESCCOc1ccc(/C=N/NC(=O)CSc2ccccn2)cc1O
InChIInChI=1S/C16H17N3O3S/c1-2-22-14-7-6-12(9-13(14)20)10-18-19-15(21)11-23-16-5-3-4-8-17-16/h3-10,20H,2,11H2,1H3,(H,19,21)/b18-10+
InChIKeyAVDRYEPOPWFEDG-VCHYOVAHSA-N
XLogP2.43
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide (CID 5335876) is N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide is CCOc1ccc(/C=N/NC(=O)CSc2ccccn2)cc1O.
What is the InChIKey of N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is AVDRYEPOPWFEDG-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-2-22-14-7-6-12(9-13(14)20)10-18-19-15(21)11-23-16-5-3-4-8-17-16/h3-10,20H,2,11H2,1H3,(H,19,21)/b18-10+.
What are the key properties of N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide?
N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 331.40 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 5335876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).