N-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide

C13H10ClN3O4S — CID 171985513

IUPACN-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)N/N=C\c1cc(Cl)cc([N+](=O)[O-])c1O
InChIInChI=1S/C13H10ClN3O4S/c14-9-4-8(13(19)11(5-9)17(20)21)7-15-16-12(18)6-10-2-1-3-22-10/h1-5,7,19H,6H2,(H,16,18)/b15-7-
InChIKeyVHGSTSCJBWUPLF-CHHVJCJISA-N
MW339.76 g/mol
LogP2.71
Rot. Bonds5

About N-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide

N-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide (PubChem CID 171985513) has the molecular formula C13H10ClN3O4S and a molecular weight of 339.76 g/mol. Its IUPAC name is N-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide
PubChem CID171985513
Molecular FormulaC13H10ClN3O4S
Molecular Weight339.76 g/mol
Exact Mass339.01
IUPAC NameN-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)N/N=C\c1cc(Cl)cc([N+](=O)[O-])c1O
InChIInChI=1S/C13H10ClN3O4S/c14-9-4-8(13(19)11(5-9)17(20)21)7-15-16-12(18)6-10-2-1-3-22-10/h1-5,7,19H,6H2,(H,16,18)/b15-7-
InChIKeyVHGSTSCJBWUPLF-CHHVJCJISA-N
XLogP2.71
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.76
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-thiophen-2-ylacetamide
CID 6871748
N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-cyanoacetamide
CID 3254960
N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide
CID 135578991
N-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide
CID 135783800
N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide
CID 135562544
N-[(Z)-[1-(4-chloro-3-nitrophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-thiophen-2-ylacetamide
CID 126210566
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 135680361
3-chloro-N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135784566
N-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 135827890
N-[(3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 929758
N-[(4-methoxy-3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 5132547
N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 4139970

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide (CID 171985513) is N-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)N/N=C\c1cc(Cl)cc([N+](=O)[O-])c1O.
What is the InChIKey of N-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide?
The InChIKey is VHGSTSCJBWUPLF-CHHVJCJISA-N. The full InChI is InChI=1S/C13H10ClN3O4S/c14-9-4-8(13(19)11(5-9)17(20)21)7-15-16-12(18)6-10-2-1-3-22-10/h1-5,7,19H,6H2,(H,16,18)/b15-7-.
What are the key properties of N-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide?
N-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide has a molecular weight of 339.76 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 171985513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).