N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-pyridin-2-ylsulfanylpropanamide

C16H16N4O4S — CID 46497943

IUPACN-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-pyridin-2-ylsulfanylpropanamide
SMILESCOc1ccc(/C=N/NC(=O)C(C)Sc2ccccn2)cc1[N+](=O)[O-]
InChIInChI=1S/C16H16N4O4S/c1-11(25-15-5-3-4-8-17-15)16(21)19-18-10-12-6-7-14(24-2)13(9-12)20(22)23/h3-11H,1-2H3,(H,19,21)/b18-10+
InChIKeyBSERZKNESHYTIN-VCHYOVAHSA-N
MW360.40 g/mol
LogP2.63
Rot. Bonds7

About N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-pyridin-2-ylsulfanylpropanamide

N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-pyridin-2-ylsulfanylpropanamide (PubChem CID 46497943) has the molecular formula C16H16N4O4S and a molecular weight of 360.40 g/mol. Its IUPAC name is N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-pyridin-2-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-pyridin-2-ylsulfanylpropanamide
PubChem CID46497943
Molecular FormulaC16H16N4O4S
Molecular Weight360.40 g/mol
Exact Mass360.09
IUPAC NameN-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-pyridin-2-ylsulfanylpropanamide
SMILESCOc1ccc(/C=N/NC(=O)C(C)Sc2ccccn2)cc1[N+](=O)[O-]
InChIInChI=1S/C16H16N4O4S/c1-11(25-15-5-3-4-8-17-15)16(21)19-18-10-12-6-7-14(24-2)13(9-12)20(22)23/h3-11H,1-2H3,(H,19,21)/b18-10+
InChIKeyBSERZKNESHYTIN-VCHYOVAHSA-N
XLogP2.63
TPSA106.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

(2S)-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylpropanamide
CID 40507810
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-methylpropanamide
CID 94833655
N-[(2,3-dimethoxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylpropanamide
CID 4102205
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylpropanamide
CID 4272831
[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]urea
CID 71670048
(2R)-N-(3-hydroxy-4-methoxyphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 99802302
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-phenoxyacetamide
CID 19165668
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-methylbenzamide
CID 19165666
2-chloro-N-[(4-methoxy-3-nitrophenyl)methylideneamino]benzamide
CID 958341
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]propanamide
CID 136754590
N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 5446414
4-fluoro-N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]benzamide
CID 98090583

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-pyridin-2-ylsulfanylpropanamide?
The IUPAC name of N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-pyridin-2-ylsulfanylpropanamide (CID 46497943) is N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-pyridin-2-ylsulfanylpropanamide.
What is the SMILES notation for N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-pyridin-2-ylsulfanylpropanamide?
The canonical SMILES for N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-pyridin-2-ylsulfanylpropanamide is COc1ccc(/C=N/NC(=O)C(C)Sc2ccccn2)cc1[N+](=O)[O-].
What is the InChIKey of N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-pyridin-2-ylsulfanylpropanamide?
The InChIKey is BSERZKNESHYTIN-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H16N4O4S/c1-11(25-15-5-3-4-8-17-15)16(21)19-18-10-12-6-7-14(24-2)13(9-12)20(22)23/h3-11H,1-2H3,(H,19,21)/b18-10+.
What are the key properties of N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-pyridin-2-ylsulfanylpropanamide?
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-pyridin-2-ylsulfanylpropanamide has a molecular weight of 360.40 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-pyridin-2-ylsulfanylpropanamide is sourced from PubChem (CID 46497943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).