N-[(3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide

C13H11N3O3S — CID 929758

IUPACN-[(3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NN=Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H11N3O3S/c17-13(8-12-5-2-6-20-12)15-14-9-10-3-1-4-11(7-10)16(18)19/h1-7,9H,8H2,(H,15,17)
InChIKeyGHYJXMWOFWOULX-UHFFFAOYSA-N
MW289.32 g/mol
LogP2.35
Rot. Bonds5

About N-[(3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide

N-[(3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide (PubChem CID 929758) has the molecular formula C13H11N3O3S and a molecular weight of 289.32 g/mol. Its IUPAC name is N-[(3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide
PubChem CID929758
Molecular FormulaC13H11N3O3S
Molecular Weight289.32 g/mol
Exact Mass289.05
IUPAC NameN-[(3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NN=Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H11N3O3S/c17-13(8-12-5-2-6-20-12)15-14-9-10-3-1-4-11(7-10)16(18)19/h1-7,9H,8H2,(H,15,17)
InChIKeyGHYJXMWOFWOULX-UHFFFAOYSA-N
XLogP2.35
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(3-nitrophenyl)methylideneamino]-N'-[(Z)-(3-nitrophenyl)methylideneamino]pentanediamide
CID 5380788
2-(4-chlorophenyl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 6875923
2-(4-aminophenyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 110515234
N-[(4-methoxy-3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 5132547
2-naphthalen-1-yl-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 5394055
N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 5425302
N-[(E)-(3-nitrophenyl)methylideneamino]butanamide
CID 19629163
N-[(3,4-dihydroxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 805233
N-[(Z)-(3-nitrophenyl)methylideneamino]-2-pyridin-3-ylacetamide
CID 5398288
2-(1-methylpyrrol-2-yl)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 5395300
N-(pyridin-4-ylmethylideneamino)-2-thiophen-2-ylacetamide
CID 697261
3-(2-hydroxyphenyl)-N-[(3-nitrophenyl)methylideneamino]propanamide
CID 171131742

Frequently Asked Questions

What is the IUPAC name of N-[(3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide (CID 929758) is N-[(3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NN=Cc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[(3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide?
The InChIKey is GHYJXMWOFWOULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3S/c17-13(8-12-5-2-6-20-12)15-14-9-10-3-1-4-11(7-10)16(18)19/h1-7,9H,8H2,(H,15,17).
What are the key properties of N-[(3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide?
N-[(3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide has a molecular weight of 289.32 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 929758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).