N-[(Z)-1-(3-nitrophenyl)ethylideneamino]thiophene-2-carboxamide

C13H11N3O3S — CID 5402036

IUPACN-[(Z)-1-(3-nitrophenyl)ethylideneamino]thiophene-2-carboxamide
SMILESC/C(=N/NC(=O)c1cccs1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H11N3O3S/c1-9(10-4-2-5-11(8-10)16(18)19)14-15-13(17)12-6-3-7-20-12/h2-8H,1H3,(H,15,17)/b14-9-
InChIKeyUORAGBQBOYDNDX-ZROIWOOFSA-N
MW289.32 g/mol
LogP2.81
Rot. Bonds4

About N-[(Z)-1-(3-nitrophenyl)ethylideneamino]thiophene-2-carboxamide

N-[(Z)-1-(3-nitrophenyl)ethylideneamino]thiophene-2-carboxamide (PubChem CID 5402036) has the molecular formula C13H11N3O3S and a molecular weight of 289.32 g/mol. Its IUPAC name is N-[(Z)-1-(3-nitrophenyl)ethylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(3-nitrophenyl)ethylideneamino]thiophene-2-carboxamide
PubChem CID5402036
Molecular FormulaC13H11N3O3S
Molecular Weight289.32 g/mol
Exact Mass289.05
IUPAC NameN-[(Z)-1-(3-nitrophenyl)ethylideneamino]thiophene-2-carboxamide
SMILESC/C(=N/NC(=O)c1cccs1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H11N3O3S/c1-9(10-4-2-5-11(8-10)16(18)19)14-15-13(17)12-6-3-7-20-12/h2-8H,1H3,(H,15,17)/b14-9-
InChIKeyUORAGBQBOYDNDX-ZROIWOOFSA-N
XLogP2.81
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 52.81
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

3-nitro-N-[1-(3-nitrophenyl)ethylideneamino]benzamide
CID 2790127
N,N'-bis[(Z)-1-(3-nitrophenyl)ethylideneamino]oxamide
CID 6310047
N-[(E)-1-(3-nitrophenyl)ethylideneamino]pyridine-4-carboxamide
CID 7124405
N-[1-(3-nitrophenyl)ethylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 1185045
N-[1-(3-methylphenyl)ethylideneamino]-3-nitrobenzamide
CID 3472309
3-nitro-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 4148309
4-bromo-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]benzamide
CID 6067087
4-bromo-N-[(E)-1-(3-nitrophenyl)ethylideneamino]benzamide
CID 7350323
N-[1-(4-fluorophenyl)ethylideneamino]-3-nitrobenzamide
CID 3353114
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-3-nitrobenzamide
CID 6005779
3-nitro-N-[1-(4-phenylphenyl)ethylideneamino]benzamide
CID 1070769
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-3-nitrobenzamide
CID 5448440

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3-nitrophenyl)ethylideneamino]thiophene-2-carboxamide?
The IUPAC name of N-[(Z)-1-(3-nitrophenyl)ethylideneamino]thiophene-2-carboxamide (CID 5402036) is N-[(Z)-1-(3-nitrophenyl)ethylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(Z)-1-(3-nitrophenyl)ethylideneamino]thiophene-2-carboxamide?
The canonical SMILES for N-[(Z)-1-(3-nitrophenyl)ethylideneamino]thiophene-2-carboxamide is C/C(=N/NC(=O)c1cccs1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[(Z)-1-(3-nitrophenyl)ethylideneamino]thiophene-2-carboxamide?
The InChIKey is UORAGBQBOYDNDX-ZROIWOOFSA-N. The full InChI is InChI=1S/C13H11N3O3S/c1-9(10-4-2-5-11(8-10)16(18)19)14-15-13(17)12-6-3-7-20-12/h2-8H,1H3,(H,15,17)/b14-9-.
What are the key properties of N-[(Z)-1-(3-nitrophenyl)ethylideneamino]thiophene-2-carboxamide?
N-[(Z)-1-(3-nitrophenyl)ethylideneamino]thiophene-2-carboxamide has a molecular weight of 289.32 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3-nitrophenyl)ethylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 5402036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).