(4-nitrophenyl)-thiophen-2-ylmethanone

C11H7NO3S — CID 574240

IUPAC(4-nitrophenyl)-thiophen-2-ylmethanone
SMILESO=C(c1ccc([N+](=O)[O-])cc1)c1cccs1
InChIInChI=1S/C11H7NO3S/c13-11(10-2-1-7-16-10)8-3-5-9(6-4-8)12(14)15/h1-7H
InChIKeyXUGHSFUXJPGCLO-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.89
Rot. Bonds3

About (4-nitrophenyl)-thiophen-2-ylmethanone

(4-nitrophenyl)-thiophen-2-ylmethanone (PubChem CID 574240) has the molecular formula C11H7NO3S and a molecular weight of 233.25 g/mol. Its IUPAC name is (4-nitrophenyl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(4-nitrophenyl)-thiophen-2-ylmethanone
PubChem CID574240
Molecular FormulaC11H7NO3S
Molecular Weight233.25 g/mol
Exact Mass233.01
IUPAC Name(4-nitrophenyl)-thiophen-2-ylmethanone
SMILESO=C(c1ccc([N+](=O)[O-])cc1)c1cccs1
InChIInChI=1S/C11H7NO3S/c13-11(10-2-1-7-16-10)8-3-5-9(6-4-8)12(14)15/h1-7H
InChIKeyXUGHSFUXJPGCLO-UHFFFAOYSA-N
XLogP2.89
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-nitrophenyl)-thiophen-2-ylmethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl)-thiophen-2-ylmethanone?
The IUPAC name of (4-nitrophenyl)-thiophen-2-ylmethanone (CID 574240) is (4-nitrophenyl)-thiophen-2-ylmethanone.
What is the SMILES notation for (4-nitrophenyl)-thiophen-2-ylmethanone?
The canonical SMILES for (4-nitrophenyl)-thiophen-2-ylmethanone is O=C(c1ccc([N+](=O)[O-])cc1)c1cccs1.
What is the InChIKey of (4-nitrophenyl)-thiophen-2-ylmethanone?
The InChIKey is XUGHSFUXJPGCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO3S/c13-11(10-2-1-7-16-10)8-3-5-9(6-4-8)12(14)15/h1-7H.
What are the key properties of (4-nitrophenyl)-thiophen-2-ylmethanone?
(4-nitrophenyl)-thiophen-2-ylmethanone has a molecular weight of 233.25 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl)-thiophen-2-ylmethanone is sourced from PubChem (CID 574240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).