2-nitro-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide

C12H9N3O3S — CID 5394670

IUPAC2-nitro-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide
SMILESO=C(N/N=C\c1cccs1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H9N3O3S/c16-12(14-13-8-9-4-3-7-19-9)10-5-1-2-6-11(10)15(17)18/h1-8H,(H,14,16)/b13-8-
InChIKeyHBRTYZJXJGLACA-JYRVWZFOSA-N
MW275.29 g/mol
LogP2.42
Rot. Bonds4

About 2-nitro-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide

2-nitro-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide (PubChem CID 5394670) has the molecular formula C12H9N3O3S and a molecular weight of 275.29 g/mol. Its IUPAC name is 2-nitro-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name2-nitro-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide
PubChem CID5394670
Molecular FormulaC12H9N3O3S
Molecular Weight275.29 g/mol
Exact Mass275.04
IUPAC Name2-nitro-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide
SMILESO=C(N/N=C\c1cccs1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H9N3O3S/c16-12(14-13-8-9-4-3-7-19-9)10-5-1-2-6-11(10)15(17)18/h1-8H,(H,14,16)/b13-8-
InChIKeyHBRTYZJXJGLACA-JYRVWZFOSA-N
XLogP2.42
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 52.42
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

2-nitro-N-[(5-thiophen-2-ylthiophen-2-yl)methylideneamino]benzamide
CID 3629107
2-nitro-N-[(E)-[4-[(E)-[(2-nitrobenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 6870006
2-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide
CID 5108019
4-chloro-3-nitro-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide
CID 5416771
2-chloro-4-nitro-N-(thiophen-2-ylmethylideneamino)benzamide
CID 871807
3-methyl-4-nitro-N-(thiophen-2-ylmethylideneamino)benzamide
CID 4136814
N-(thiophen-2-ylmethylideneamino)naphthalene-1-carboxamide
CID 4191451
2-pyrrol-1-yl-N-(thiophen-2-ylmethylideneamino)benzamide
CID 1484943
3-nitro-N-(thiophen-2-ylmethylideneamino)benzamide
CID 774214
2-nitro-N-(pyridin-2-ylmethylideneamino)benzamide
CID 4263662
N-[(E)-thiophen-2-ylmethylideneamino]carbamate
CID 23220005
N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]-2-nitrobenzamide
CID 136670478

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide?
The IUPAC name of 2-nitro-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide (CID 5394670) is 2-nitro-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide.
What is the SMILES notation for 2-nitro-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide?
The canonical SMILES for 2-nitro-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide is O=C(N/N=C\c1cccs1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide?
The InChIKey is HBRTYZJXJGLACA-JYRVWZFOSA-N. The full InChI is InChI=1S/C12H9N3O3S/c16-12(14-13-8-9-4-3-7-19-9)10-5-1-2-6-11(10)15(17)18/h1-8H,(H,14,16)/b13-8-.
What are the key properties of 2-nitro-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide?
2-nitro-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide has a molecular weight of 275.29 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide is sourced from PubChem (CID 5394670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).