2-(4-nitrophenyl)-2-phenylimino-1-thiophen-2-ylethanone

C18H12N2O3S — CID 10382366

IUPAC2-(4-nitrophenyl)-2-phenylimino-1-thiophen-2-ylethanone
SMILESO=C(/C(=N/c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccs1
InChIInChI=1S/C18H12N2O3S/c21-18(16-7-4-12-24-16)17(19-14-5-2-1-3-6-14)13-8-10-15(11-9-13)20(22)23/h1-12H/b19-17+
InChIKeyQRYAGBINVHMASA-HTXNQAPBSA-N
MW336.37 g/mol
LogP4.66
Rot. Bonds5

About 2-(4-nitrophenyl)-2-phenylimino-1-thiophen-2-ylethanone

2-(4-nitrophenyl)-2-phenylimino-1-thiophen-2-ylethanone (PubChem CID 10382366) has the molecular formula C18H12N2O3S and a molecular weight of 336.37 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-2-phenylimino-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-(4-nitrophenyl)-2-phenylimino-1-thiophen-2-ylethanone
PubChem CID10382366
Molecular FormulaC18H12N2O3S
Molecular Weight336.37 g/mol
Exact Mass336.06
IUPAC Name2-(4-nitrophenyl)-2-phenylimino-1-thiophen-2-ylethanone
SMILESO=C(/C(=N/c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccs1
InChIInChI=1S/C18H12N2O3S/c21-18(16-7-4-12-24-16)17(19-14-5-2-1-3-6-14)13-8-10-15(11-9-13)20(22)23/h1-12H/b19-17+
InChIKeyQRYAGBINVHMASA-HTXNQAPBSA-N
XLogP4.66
TPSA72.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4-nitrophenyl)-2-phenylimino-1-thiophen-2-ylethanone 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 2-(4-nitrophenyl)-2-phenylimino-1-thiophen-2-ylethanone?
The IUPAC name of 2-(4-nitrophenyl)-2-phenylimino-1-thiophen-2-ylethanone (CID 10382366) is 2-(4-nitrophenyl)-2-phenylimino-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-(4-nitrophenyl)-2-phenylimino-1-thiophen-2-ylethanone?
The canonical SMILES for 2-(4-nitrophenyl)-2-phenylimino-1-thiophen-2-ylethanone is O=C(/C(=N/c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccs1.
What is the InChIKey of 2-(4-nitrophenyl)-2-phenylimino-1-thiophen-2-ylethanone?
The InChIKey is QRYAGBINVHMASA-HTXNQAPBSA-N. The full InChI is InChI=1S/C18H12N2O3S/c21-18(16-7-4-12-24-16)17(19-14-5-2-1-3-6-14)13-8-10-15(11-9-13)20(22)23/h1-12H/b19-17+.
What are the key properties of 2-(4-nitrophenyl)-2-phenylimino-1-thiophen-2-ylethanone?
2-(4-nitrophenyl)-2-phenylimino-1-thiophen-2-ylethanone has a molecular weight of 336.37 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)-2-phenylimino-1-thiophen-2-ylethanone is sourced from PubChem (CID 10382366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).