N-[(Z)-1-(4-nitrophenyl)ethylideneamino]-2-pyridin-2-ylsulfanylacetamide

C15H14N4O3S — CID 5424384

IUPACN-[(Z)-1-(4-nitrophenyl)ethylideneamino]-2-pyridin-2-ylsulfanylacetamide
SMILESC/C(=N/NC(=O)CSc1ccccn1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H14N4O3S/c1-11(12-5-7-13(8-6-12)19(21)22)17-18-14(20)10-23-15-4-2-3-9-16-15/h2-9H,10H2,1H3,(H,18,20)/b17-11-
InChIKeyOFUPRXPIQWKZAD-BOPFTXTBSA-N
MW330.37 g/mol
LogP2.62
Rot. Bonds6

About N-[(Z)-1-(4-nitrophenyl)ethylideneamino]-2-pyridin-2-ylsulfanylacetamide

N-[(Z)-1-(4-nitrophenyl)ethylideneamino]-2-pyridin-2-ylsulfanylacetamide (PubChem CID 5424384) has the molecular formula C15H14N4O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is N-[(Z)-1-(4-nitrophenyl)ethylideneamino]-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-nitrophenyl)ethylideneamino]-2-pyridin-2-ylsulfanylacetamide
PubChem CID5424384
Molecular FormulaC15H14N4O3S
Molecular Weight330.37 g/mol
Exact Mass330.08
IUPAC NameN-[(Z)-1-(4-nitrophenyl)ethylideneamino]-2-pyridin-2-ylsulfanylacetamide
SMILESC/C(=N/NC(=O)CSc1ccccn1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H14N4O3S/c1-11(12-5-7-13(8-6-12)19(21)22)17-18-14(20)10-23-15-4-2-3-9-16-15/h2-9H,10H2,1H3,(H,18,20)/b17-11-
InChIKeyOFUPRXPIQWKZAD-BOPFTXTBSA-N
XLogP2.62
TPSA97.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.62
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

2-[(4-Nitrobenzyl)sulfanyl]pyridine
CID 677063
N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-2-(pyridin-2-ylsulfanyl)acetohydrazide
CID 6867577
ST4014630
CID 684061
2-[(3-Nitrophenyl)methylsulfanyl]-1-oxidopyridin-1-ium
CID 2092437
2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 2341319
N'-[(E)-(3-nitrophenyl)methylidene]-2-(pyridin-2-ylsulfanyl)acetohydrazide
CID 6865978
2-[(2-Nitrobenzyl)thio]pyridine
CID 677064
N-(4-methylphenyl)-3-(2-pyridinylsulfanyl)propanamide
CID 851336
2-({4-nitrobenzyl}sulfanyl)-N'-(4-pyridinylmethylene)acetohydrazide
CID 6871729
N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]-2-(pyridin-2-ylsulfanyl)acetohydrazide
CID 9597956
2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
CID 2341259
N-(2,3-dimethylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 2341261

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-nitrophenyl)ethylideneamino]-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-[(Z)-1-(4-nitrophenyl)ethylideneamino]-2-pyridin-2-ylsulfanylacetamide (CID 5424384) is N-[(Z)-1-(4-nitrophenyl)ethylideneamino]-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[(Z)-1-(4-nitrophenyl)ethylideneamino]-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-[(Z)-1-(4-nitrophenyl)ethylideneamino]-2-pyridin-2-ylsulfanylacetamide is C/C(=N/NC(=O)CSc1ccccn1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(Z)-1-(4-nitrophenyl)ethylideneamino]-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is OFUPRXPIQWKZAD-BOPFTXTBSA-N. The full InChI is InChI=1S/C15H14N4O3S/c1-11(12-5-7-13(8-6-12)19(21)22)17-18-14(20)10-23-15-4-2-3-9-16-15/h2-9H,10H2,1H3,(H,18,20)/b17-11-.
What are the key properties of N-[(Z)-1-(4-nitrophenyl)ethylideneamino]-2-pyridin-2-ylsulfanylacetamide?
N-[(Z)-1-(4-nitrophenyl)ethylideneamino]-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 330.37 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-nitrophenyl)ethylideneamino]-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 5424384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).