2-(2-nitro-2-thiophen-2-ylethenyl)-5-thiophen-2-ylfuran

C14H9NO3S2 — CID 71427186

IUPAC2-(2-nitro-2-thiophen-2-ylethenyl)-5-thiophen-2-ylfuran
SMILESO=[N+]([O-])C(=Cc1ccc(-c2cccs2)o1)c1cccs1
InChIInChI=1S/C14H9NO3S2/c16-15(17)11(13-3-1-7-19-13)9-10-5-6-12(18-10)14-4-2-8-20-14/h1-9H
InChIKeyUOZFSDREAHZOKG-UHFFFAOYSA-N
MW303.36 g/mol
LogP4.84
Rot. Bonds4

About 2-(2-nitro-2-thiophen-2-ylethenyl)-5-thiophen-2-ylfuran

2-(2-nitro-2-thiophen-2-ylethenyl)-5-thiophen-2-ylfuran (PubChem CID 71427186) has the molecular formula C14H9NO3S2 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-(2-nitro-2-thiophen-2-ylethenyl)-5-thiophen-2-ylfuran.

Molecular Properties

Compound Name2-(2-nitro-2-thiophen-2-ylethenyl)-5-thiophen-2-ylfuran
PubChem CID71427186
Molecular FormulaC14H9NO3S2
Molecular Weight303.36 g/mol
Exact Mass303.00
IUPAC Name2-(2-nitro-2-thiophen-2-ylethenyl)-5-thiophen-2-ylfuran
SMILESO=[N+]([O-])C(=Cc1ccc(-c2cccs2)o1)c1cccs1
InChIInChI=1S/C14H9NO3S2/c16-15(17)11(13-3-1-7-19-13)9-10-5-6-12(18-10)14-4-2-8-20-14/h1-9H
InChIKeyUOZFSDREAHZOKG-UHFFFAOYSA-N
XLogP4.84
TPSA56.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(2-nitro-2-thiophen-2-ylethenyl)-5-thiophen-2-ylfuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-thiophen-2-yl-5-(5-thiophen-2-ylfuran-2-yl)furan
CID 102347671
methyl 3-(5-thiophen-2-ylfuran-2-yl)prop-2-enoate
CID 75608706
2-(4-bromophenyl)-5-[(E)-2-nitroprop-1-enyl]furan
CID 2193450
(4Z)-4-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
CID 9313022
N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]thiophene-2-carboxamide
CID 5428249
2-(2-nitroprop-1-enyl)-4-thiophen-2-ylthiophene
CID 76912952
2-(2,4-dichlorophenyl)-5-(2-nitro-2-phenylethenyl)furan
CID 2911165
2-(5-bromothiophen-2-yl)-5-thiophen-2-ylfuran
CID 10781309
dithiophen-2-ylmethanone;2-thiophen-2-ylthiophene
CID 161486915
N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]thiophene-2-carboxamide
CID 9211886
5-(5-thiophen-2-ylfuran-2-yl)thiophene-2-carbaldehyde
CID 817927
5-nitro-3-thiophen-2-ylisochromen-1-one
CID 125494712

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitro-2-thiophen-2-ylethenyl)-5-thiophen-2-ylfuran?
The IUPAC name of 2-(2-nitro-2-thiophen-2-ylethenyl)-5-thiophen-2-ylfuran (CID 71427186) is 2-(2-nitro-2-thiophen-2-ylethenyl)-5-thiophen-2-ylfuran.
What is the SMILES notation for 2-(2-nitro-2-thiophen-2-ylethenyl)-5-thiophen-2-ylfuran?
The canonical SMILES for 2-(2-nitro-2-thiophen-2-ylethenyl)-5-thiophen-2-ylfuran is O=[N+]([O-])C(=Cc1ccc(-c2cccs2)o1)c1cccs1.
What is the InChIKey of 2-(2-nitro-2-thiophen-2-ylethenyl)-5-thiophen-2-ylfuran?
The InChIKey is UOZFSDREAHZOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO3S2/c16-15(17)11(13-3-1-7-19-13)9-10-5-6-12(18-10)14-4-2-8-20-14/h1-9H.
What are the key properties of 2-(2-nitro-2-thiophen-2-ylethenyl)-5-thiophen-2-ylfuran?
2-(2-nitro-2-thiophen-2-ylethenyl)-5-thiophen-2-ylfuran has a molecular weight of 303.36 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitro-2-thiophen-2-ylethenyl)-5-thiophen-2-ylfuran is sourced from PubChem (CID 71427186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).