N-(4-ethoxy-2-nitrophenyl)thiophene-2-carboxamide

C13H12N2O4S — CID 2850415

IUPACN-(4-ethoxy-2-nitrophenyl)thiophene-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2cccs2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H12N2O4S/c1-2-19-9-5-6-10(11(8-9)15(17)18)14-13(16)12-4-3-7-20-12/h3-8H,2H2,1H3,(H,14,16)
InChIKeyNQUGHEMKVNVREP-UHFFFAOYSA-N
MW292.32 g/mol
LogP3.31
Rot. Bonds5

About N-(4-ethoxy-2-nitrophenyl)thiophene-2-carboxamide

N-(4-ethoxy-2-nitrophenyl)thiophene-2-carboxamide (PubChem CID 2850415) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is N-(4-ethoxy-2-nitrophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxy-2-nitrophenyl)thiophene-2-carboxamide
PubChem CID2850415
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC NameN-(4-ethoxy-2-nitrophenyl)thiophene-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2cccs2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H12N2O4S/c1-2-19-9-5-6-10(11(8-9)15(17)18)14-13(16)12-4-3-7-20-12/h3-8H,2H2,1H3,(H,14,16)
InChIKeyNQUGHEMKVNVREP-UHFFFAOYSA-N
XLogP3.31
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
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 N-(4-ethoxy-2-nitrophenyl)thiophene-2-carboxamide 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 N-(4-ethoxy-2-nitrophenyl)thiophene-2-carboxamide?
The IUPAC name of N-(4-ethoxy-2-nitrophenyl)thiophene-2-carboxamide (CID 2850415) is N-(4-ethoxy-2-nitrophenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(4-ethoxy-2-nitrophenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(4-ethoxy-2-nitrophenyl)thiophene-2-carboxamide is CCOc1ccc(NC(=O)c2cccs2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-ethoxy-2-nitrophenyl)thiophene-2-carboxamide?
The InChIKey is NQUGHEMKVNVREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S/c1-2-19-9-5-6-10(11(8-9)15(17)18)14-13(16)12-4-3-7-20-12/h3-8H,2H2,1H3,(H,14,16).
What are the key properties of N-(4-ethoxy-2-nitrophenyl)thiophene-2-carboxamide?
N-(4-ethoxy-2-nitrophenyl)thiophene-2-carboxamide has a molecular weight of 292.32 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-2-nitrophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 2850415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).