N-formylthiophene-2-carboxamide

C6H5NO2S — CID 2771336

IUPACN-formylthiophene-2-carboxamide
SMILESO=CNC(=O)c1cccs1
InChIInChI=1S/C6H5NO2S/c8-4-7-6(9)5-2-1-3-10-5/h1-4H,(H,7,8,9)
InChIKeyNQJDOLOHQDRHAB-UHFFFAOYSA-N
MW155.18 g/mol
LogP0.63
Rot. Bonds2

About N-formylthiophene-2-carboxamide

N-formylthiophene-2-carboxamide (PubChem CID 2771336) has the molecular formula C6H5NO2S and a molecular weight of 155.18 g/mol. Its IUPAC name is N-formylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-formylthiophene-2-carboxamide
PubChem CID2771336
Molecular FormulaC6H5NO2S
Molecular Weight155.18 g/mol
Exact Mass155.00
IUPAC NameN-formylthiophene-2-carboxamide
SMILESO=CNC(=O)c1cccs1
InChIInChI=1S/C6H5NO2S/c8-4-7-6(9)5-2-1-3-10-5/h1-4H,(H,7,8,9)
InChIKeyNQJDOLOHQDRHAB-UHFFFAOYSA-N
XLogP0.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.18
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-sulfanylthiophene-2-carboxamide
CID 87476143
2-oxo-2-thiophen-2-ylacetaldehyde
CID 5272214
formic acid;thiophene-2-carboxamide
CID 118356394
N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
CID 67687159
1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide
CID 3715888
N-[2-(ethylamino)ethyl]thiophene-2-carboxamide
CID 62657845
4-(thiophene-2-carbonylamino)butanoic acid
CID 3149370
1-amino-3-(thiophene-2-carbonylamino)urea
CID 141065921
N-(2-aminoethyl)thiophene-2-carboxamide
CID 4649097
N-(thiophene-2-carboximidoyl)thiophene-2-carboxamide
CID 171130036
N-(dicyanomethyl)thiophene-2-carboxamide
CID 22299074
formyl thiophene-2-carboxylate
CID 22645353

Frequently Asked Questions

What is the IUPAC name of N-formylthiophene-2-carboxamide?
The IUPAC name of N-formylthiophene-2-carboxamide (CID 2771336) is N-formylthiophene-2-carboxamide.
What is the SMILES notation for N-formylthiophene-2-carboxamide?
The canonical SMILES for N-formylthiophene-2-carboxamide is O=CNC(=O)c1cccs1.
What is the InChIKey of N-formylthiophene-2-carboxamide?
The InChIKey is NQJDOLOHQDRHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO2S/c8-4-7-6(9)5-2-1-3-10-5/h1-4H,(H,7,8,9).
What are the key properties of N-formylthiophene-2-carboxamide?
N-formylthiophene-2-carboxamide has a molecular weight of 155.18 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-formylthiophene-2-carboxamide is sourced from PubChem (CID 2771336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).