N-[(2-nitrophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide

C14H12N4O3S — CID 790794

IUPACN-[(2-nitrophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)NN=Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H12N4O3S/c19-13(10-22-14-7-3-4-8-15-14)17-16-9-11-5-1-2-6-12(11)18(20)21/h1-9H,10H2,(H,17,19)
InChIKeyNVBFQJULHYJSDH-UHFFFAOYSA-N
MW316.34 g/mol
LogP2.23
Rot. Bonds6

About N-[(2-nitrophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide

N-[(2-nitrophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide (PubChem CID 790794) has the molecular formula C14H12N4O3S and a molecular weight of 316.34 g/mol. Its IUPAC name is N-[(2-nitrophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(2-nitrophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide
PubChem CID790794
Molecular FormulaC14H12N4O3S
Molecular Weight316.34 g/mol
Exact Mass316.06
IUPAC NameN-[(2-nitrophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)NN=Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H12N4O3S/c19-13(10-22-14-7-3-4-8-15-14)17-16-9-11-5-1-2-6-12(11)18(20)21/h1-9H,10H2,(H,17,19)
InChIKeyNVBFQJULHYJSDH-UHFFFAOYSA-N
XLogP2.23
TPSA97.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-pyridin-2-ylmethylideneamino]-2-pyridin-2-ylsulfanylacetamide
CID 5424100
N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide
CID 135486010
2-methoxy-4-nitro-6-[(Z)-[(2-pyridin-2-ylsulfanylacetyl)hydrazinylidene]methyl]phenolate
CID 6997022
2-hydroxy-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 5414501
N-[(E)-1H-indol-3-ylmethylideneamino]-2-pyridin-2-ylsulfanylacetamide
CID 135439639
2-[(2-methylphenyl)methylsulfanyl]-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 689763
N-[(2-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 796751
N-[(E)-(2-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 6894812
2-pyridin-2-ylsulfanyl-N-(thiophen-2-ylmethylideneamino)acetamide
CID 749028
2-pyridin-2-ylsulfanyl-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 5400534
N-[(4-chlorophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide
CID 749023
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide
CID 6902022

Frequently Asked Questions

What is the IUPAC name of N-[(2-nitrophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-[(2-nitrophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide (CID 790794) is N-[(2-nitrophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[(2-nitrophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-[(2-nitrophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide is O=C(CSc1ccccn1)NN=Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[(2-nitrophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is NVBFQJULHYJSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3S/c19-13(10-22-14-7-3-4-8-15-14)17-16-9-11-5-1-2-6-12(11)18(20)21/h1-9H,10H2,(H,17,19).
What are the key properties of N-[(2-nitrophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide?
N-[(2-nitrophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 316.34 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-nitrophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 790794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).