4-(5-formylthiophen-2-yl)benzamide

C12H9NO2S — CID 87324146

IUPAC4-(5-formylthiophen-2-yl)benzamide
SMILESNC(=O)c1ccc(-c2ccc(C=O)s2)cc1
InChIInChI=1S/C12H9NO2S/c13-12(15)9-3-1-8(2-4-9)11-6-5-10(7-14)16-11/h1-7H,(H2,13,15)
InChIKeyBNRZOSYMHVTGMQ-UHFFFAOYSA-N
MW231.28 g/mol
LogP2.33
Rot. Bonds3

About 4-(5-formylthiophen-2-yl)benzamide

4-(5-formylthiophen-2-yl)benzamide (PubChem CID 87324146) has the molecular formula C12H9NO2S and a molecular weight of 231.28 g/mol. Its IUPAC name is 4-(5-formylthiophen-2-yl)benzamide.

Molecular Properties

Compound Name4-(5-formylthiophen-2-yl)benzamide
PubChem CID87324146
Molecular FormulaC12H9NO2S
Molecular Weight231.28 g/mol
Exact Mass231.04
IUPAC Name4-(5-formylthiophen-2-yl)benzamide
SMILESNC(=O)c1ccc(-c2ccc(C=O)s2)cc1
InChIInChI=1S/C12H9NO2S/c13-12(15)9-3-1-8(2-4-9)11-6-5-10(7-14)16-11/h1-7H,(H2,13,15)
InChIKeyBNRZOSYMHVTGMQ-UHFFFAOYSA-N
XLogP2.33
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(5-formylthiophen-2-yl)benzamide?
The IUPAC name of 4-(5-formylthiophen-2-yl)benzamide (CID 87324146) is 4-(5-formylthiophen-2-yl)benzamide.
What is the SMILES notation for 4-(5-formylthiophen-2-yl)benzamide?
The canonical SMILES for 4-(5-formylthiophen-2-yl)benzamide is NC(=O)c1ccc(-c2ccc(C=O)s2)cc1.
What is the InChIKey of 4-(5-formylthiophen-2-yl)benzamide?
The InChIKey is BNRZOSYMHVTGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2S/c13-12(15)9-3-1-8(2-4-9)11-6-5-10(7-14)16-11/h1-7H,(H2,13,15).
What are the key properties of 4-(5-formylthiophen-2-yl)benzamide?
4-(5-formylthiophen-2-yl)benzamide has a molecular weight of 231.28 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-formylthiophen-2-yl)benzamide is sourced from PubChem (CID 87324146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).