N-(2-nitro-5-thiophen-2-ylphenyl)formamide

C11H8N2O3S — CID 168651677

IUPACN-(2-nitro-5-thiophen-2-ylphenyl)formamide
SMILESO=CNc1cc(-c2cccs2)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H8N2O3S/c14-7-12-9-6-8(11-2-1-5-17-11)3-4-10(9)13(15)16/h1-7H,(H,12,14)
InChIKeyGWFGJMHSGGDILE-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.89
Rot. Bonds4

About N-(2-nitro-5-thiophen-2-ylphenyl)formamide

N-(2-nitro-5-thiophen-2-ylphenyl)formamide (PubChem CID 168651677) has the molecular formula C11H8N2O3S and a molecular weight of 248.26 g/mol. Its IUPAC name is N-(2-nitro-5-thiophen-2-ylphenyl)formamide.

Molecular Properties

Compound NameN-(2-nitro-5-thiophen-2-ylphenyl)formamide
PubChem CID168651677
Molecular FormulaC11H8N2O3S
Molecular Weight248.26 g/mol
Exact Mass248.03
IUPAC NameN-(2-nitro-5-thiophen-2-ylphenyl)formamide
SMILESO=CNc1cc(-c2cccs2)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H8N2O3S/c14-7-12-9-6-8(11-2-1-5-17-11)3-4-10(9)13(15)16/h1-7H,(H,12,14)
InChIKeyGWFGJMHSGGDILE-UHFFFAOYSA-N
XLogP2.89
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-nitro-5-thiophen-2-ylphenyl)formamide 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-(3-nitro-4-thiophen-2-ylphenyl)thiophene
CID 22765600
N-(2-nitro-4-thiophen-2-ylphenyl)acetamide
CID 110477271
4-isocyano-N-(2-nitro-5-thiophen-2-ylphenyl)benzamide
CID 59736694
(1Z)-2-amino-2-imino-N-(2-nitro-5-thiophen-2-ylanilino)ethanimidoyl cyanide
CID 172979812
N-(2-nitro-4-thiophen-2-ylphenyl)benzamide
CID 91406770
2-(4-nitrophenyl)thiophene
CID 609512
N-(2-nitrophenyl)-3-thiophen-2-ylbenzamide
CID 4862006
4-[[(2-nitro-5-thiophen-2-ylphenyl)carbamoylamino]methyl]piperidine-1-carboxylic acid
CID 70982745
1-[(1-methylpiperidin-4-yl)methyl]-3-(2-nitro-5-thiophen-2-ylphenyl)urea;1-(2-nitro-5-thiophen-2-ylphenyl)-3-(piperidin-4-ylmethyl)urea
CID 158774005
N-[4-chloro-2-nitro-5-(trifluoromethyl)phenyl]formamide
CID 168651175
(2-methyl-5-thiophen-2-ylphenyl)hydrazine
CID 54385611
2-(7-thiophen-2-ylnaphthalen-2-yl)thiophene
CID 824515

Frequently Asked Questions

What is the IUPAC name of N-(2-nitro-5-thiophen-2-ylphenyl)formamide?
The IUPAC name of N-(2-nitro-5-thiophen-2-ylphenyl)formamide (CID 168651677) is N-(2-nitro-5-thiophen-2-ylphenyl)formamide.
What is the SMILES notation for N-(2-nitro-5-thiophen-2-ylphenyl)formamide?
The canonical SMILES for N-(2-nitro-5-thiophen-2-ylphenyl)formamide is O=CNc1cc(-c2cccs2)ccc1[N+](=O)[O-].
What is the InChIKey of N-(2-nitro-5-thiophen-2-ylphenyl)formamide?
The InChIKey is GWFGJMHSGGDILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3S/c14-7-12-9-6-8(11-2-1-5-17-11)3-4-10(9)13(15)16/h1-7H,(H,12,14).
What are the key properties of N-(2-nitro-5-thiophen-2-ylphenyl)formamide?
N-(2-nitro-5-thiophen-2-ylphenyl)formamide has a molecular weight of 248.26 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitro-5-thiophen-2-ylphenyl)formamide is sourced from PubChem (CID 168651677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).