N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide

C15H14N4O5S — CID 135486010

IUPACN-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide
SMILESCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)CSc2ccccn2)c1O
InChIInChI=1S/C15H14N4O5S/c1-24-12-7-11(19(22)23)6-10(15(12)21)8-17-18-13(20)9-25-14-4-2-3-5-16-14/h2-8,21H,9H2,1H3,(H,18,20)/b17-8+
InChIKeyACJWIASIYBEPTR-CAOOACKPSA-N
MW362.37 g/mol
LogP1.95
Rot. Bonds7

About N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide

N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide (PubChem CID 135486010) has the molecular formula C15H14N4O5S and a molecular weight of 362.37 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide
PubChem CID135486010
Molecular FormulaC15H14N4O5S
Molecular Weight362.37 g/mol
Exact Mass362.07
IUPAC NameN-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide
SMILESCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)CSc2ccccn2)c1O
InChIInChI=1S/C15H14N4O5S/c1-24-12-7-11(19(22)23)6-10(15(12)21)8-17-18-13(20)9-25-14-4-2-3-5-16-14/h2-8,21H,9H2,1H3,(H,18,20)/b17-8+
InChIKeyACJWIASIYBEPTR-CAOOACKPSA-N
XLogP1.95
TPSA126.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.37
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-4-nitro-6-[(Z)-[(2-pyridin-2-ylsulfanylacetyl)hydrazinylidene]methyl]phenolate
CID 6997022
N-[(2-nitrophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide
CID 790794
2-(2-chlorophenoxy)-N-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]acetamide
CID 4006296
N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 135716735
2-pyridin-2-ylsulfanyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 5331422
2-[[5-(4-chlorophenyl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]-N-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]acetamide
CID 4031515
N-[(Z)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 136919391
2-(4-bromoanilino)-N-[(Z)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]acetamide
CID 135796296
3-(benzotriazol-1-yl)-N-[(Z)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]propanamide
CID 136897203
2-(3,5-dimethylphenoxy)-N-[(Z)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]acetamide
CID 135879015
N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-4-nitrobenzamide
CID 136712197
2-amino-N-[(Z)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]benzamide
CID 136926351

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide (CID 135486010) is N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide is COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)CSc2ccccn2)c1O.
What is the InChIKey of N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is ACJWIASIYBEPTR-CAOOACKPSA-N. The full InChI is InChI=1S/C15H14N4O5S/c1-24-12-7-11(19(22)23)6-10(15(12)21)8-17-18-13(20)9-25-14-4-2-3-5-16-14/h2-8,21H,9H2,1H3,(H,18,20)/b17-8+.
What are the key properties of N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide?
N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 362.37 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 135486010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).