N-(5-formyl-3-nitrothiophen-2-yl)acetamide

C7H6N2O4S — CID 23008992

IUPACN-(5-formyl-3-nitrothiophen-2-yl)acetamide
SMILESCC(=O)Nc1sc(C=O)cc1[N+](=O)[O-]
InChIInChI=1S/C7H6N2O4S/c1-4(11)8-7-6(9(12)13)2-5(3-10)14-7/h2-3H,1H3,(H,8,11)
InChIKeyYZTCKWNIDZKISC-UHFFFAOYSA-N
MW214.20 g/mol
LogP1.43
Rot. Bonds3

About N-(5-formyl-3-nitrothiophen-2-yl)acetamide

N-(5-formyl-3-nitrothiophen-2-yl)acetamide (PubChem CID 23008992) has the molecular formula C7H6N2O4S and a molecular weight of 214.20 g/mol. Its IUPAC name is N-(5-formyl-3-nitrothiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-formyl-3-nitrothiophen-2-yl)acetamide
PubChem CID23008992
Molecular FormulaC7H6N2O4S
Molecular Weight214.20 g/mol
Exact Mass214.00
IUPAC NameN-(5-formyl-3-nitrothiophen-2-yl)acetamide
SMILESCC(=O)Nc1sc(C=O)cc1[N+](=O)[O-]
InChIInChI=1S/C7H6N2O4S/c1-4(11)8-7-6(9(12)13)2-5(3-10)14-7/h2-3H,1H3,(H,8,11)
InChIKeyYZTCKWNIDZKISC-UHFFFAOYSA-N
XLogP1.43
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.20
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(5-formyl-3-nitrothiophen-2-yl)acetamide 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-(5-formyl-3-nitrothiophen-2-yl)acetamide?
The IUPAC name of N-(5-formyl-3-nitrothiophen-2-yl)acetamide (CID 23008992) is N-(5-formyl-3-nitrothiophen-2-yl)acetamide.
What is the SMILES notation for N-(5-formyl-3-nitrothiophen-2-yl)acetamide?
The canonical SMILES for N-(5-formyl-3-nitrothiophen-2-yl)acetamide is CC(=O)Nc1sc(C=O)cc1[N+](=O)[O-].
What is the InChIKey of N-(5-formyl-3-nitrothiophen-2-yl)acetamide?
The InChIKey is YZTCKWNIDZKISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O4S/c1-4(11)8-7-6(9(12)13)2-5(3-10)14-7/h2-3H,1H3,(H,8,11).
What are the key properties of N-(5-formyl-3-nitrothiophen-2-yl)acetamide?
N-(5-formyl-3-nitrothiophen-2-yl)acetamide has a molecular weight of 214.20 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-formyl-3-nitrothiophen-2-yl)acetamide is sourced from PubChem (CID 23008992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).