2-nitro-N-[(E)-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide

C17H12N4O4S — CID 51660057

IUPAC2-nitro-N-[(E)-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(Sc2ccccn2)o1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H12N4O4S/c22-17(13-5-1-2-6-14(13)21(23)24)20-19-11-12-8-9-16(25-12)26-15-7-3-4-10-18-15/h1-11H,(H,20,22)/b19-11+
InChIKeySGLOCNQLYFWWTN-YBFXNURJSA-N
MW368.37 g/mol
LogP3.50
Rot. Bonds6

About 2-nitro-N-[(E)-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide

2-nitro-N-[(E)-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide (PubChem CID 51660057) has the molecular formula C17H12N4O4S and a molecular weight of 368.37 g/mol. Its IUPAC name is 2-nitro-N-[(E)-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-nitro-N-[(E)-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide
PubChem CID51660057
Molecular FormulaC17H12N4O4S
Molecular Weight368.37 g/mol
Exact Mass368.06
IUPAC Name2-nitro-N-[(E)-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(Sc2ccccn2)o1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H12N4O4S/c22-17(13-5-1-2-6-14(13)21(23)24)20-19-11-12-8-9-16(25-12)26-15-7-3-4-10-18-15/h1-11H,(H,20,22)/b19-11+
InChIKeySGLOCNQLYFWWTN-YBFXNURJSA-N
XLogP3.50
TPSA110.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 53.50
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

2-nitro-N-(pyridin-2-ylmethylideneamino)benzamide
CID 4263662
3-bromo-N-[(Z)-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide
CID 5435224
2-nitro-N-[(E)-[4-[(E)-[(2-nitrobenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 6870006
(NE)-N-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylidene]hydroxylamine
CID 171980324
2-(2-nitrophenyl)-N-[(5-phenylsulfanylfuran-2-yl)methylideneamino]acetamide
CID 3615840
N-[(Z)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]-2-nitrobenzamide
CID 5410715
2-(2-methylphenoxy)-N-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]acetamide
CID 1040366
3-nitro-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]pyridin-2-amine
CID 126096053
N-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]pyridine-2-carboxamide
CID 831247
2-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide
CID 3430896
2-nitro-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide
CID 5394670
3-fluoro-N-[(E)-(5-pyrimidin-4-ylsulfanylfuran-2-yl)methylideneamino]benzamide
CID 176948559

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-[(E)-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide?
The IUPAC name of 2-nitro-N-[(E)-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide (CID 51660057) is 2-nitro-N-[(E)-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 2-nitro-N-[(E)-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide?
The canonical SMILES for 2-nitro-N-[(E)-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide is O=C(N/N=C/c1ccc(Sc2ccccn2)o1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-N-[(E)-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide?
The InChIKey is SGLOCNQLYFWWTN-YBFXNURJSA-N. The full InChI is InChI=1S/C17H12N4O4S/c22-17(13-5-1-2-6-14(13)21(23)24)20-19-11-12-8-9-16(25-12)26-15-7-3-4-10-18-15/h1-11H,(H,20,22)/b19-11+.
What are the key properties of 2-nitro-N-[(E)-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide?
2-nitro-N-[(E)-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide has a molecular weight of 368.37 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-[(E)-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 51660057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).