1-benzothiophene-5-carboxamide

C9H7NOS — CID 23512795

IUPAC1-benzothiophene-5-carboxamide
SMILESNC(=O)c1ccc2sccc2c1
InChIInChI=1S/C9H7NOS/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-5H,(H2,10,11)
InChIKeySWLXXUVUBCIWHL-UHFFFAOYSA-N
MW177.23 g/mol
LogP2.00
Rot. Bonds1

About 1-benzothiophene-5-carboxamide

1-benzothiophene-5-carboxamide (PubChem CID 23512795) has the molecular formula C9H7NOS and a molecular weight of 177.23 g/mol. Its IUPAC name is 1-benzothiophene-5-carboxamide.

Molecular Properties

Compound Name1-benzothiophene-5-carboxamide
PubChem CID23512795
Molecular FormulaC9H7NOS
Molecular Weight177.23 g/mol
Exact Mass177.02
IUPAC Name1-benzothiophene-5-carboxamide
SMILESNC(=O)c1ccc2sccc2c1
InChIInChI=1S/C9H7NOS/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-5H,(H2,10,11)
InChIKeySWLXXUVUBCIWHL-UHFFFAOYSA-N
XLogP2.00
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-benzothiophene-5-carboxamide 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

Benzo(b)thiophene-5-carboxaldehyde
CID 139097
N-hydroxybenzo(b)thiophene-2-carboxamide
CID 11708207
3-Phenylthiophene-2-carboxamide
CID 22374565
1-Benzothiophene-2-carbohydrazide
CID 519437
3-Chlorobenzo(b)thiophene-2-carboxamide
CID 607052
5-(3-Ethylsulfanylphenyl)thiophene-2-Carboxamide
CID 91754987
N-hydroxy-6-methyl-1-benzothiophene-2-carboxamide
CID 57658333
1-Benzothiophene-2-carboxamide
CID 237073
US10654814, Example 90
CID 129283308
1-(1-Benzothiophen-5-yl)ethan-1-one
CID 14358678
4-p-Tolylsulfanyl-benzo[b]thiophene-2-carboxylic acid amide
CID 10566084
4-(2-Phenyl-1-benzothiophen-3-yl)benzamide
CID 44142501

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophene-5-carboxamide?
The IUPAC name of 1-benzothiophene-5-carboxamide (CID 23512795) is 1-benzothiophene-5-carboxamide.
What is the SMILES notation for 1-benzothiophene-5-carboxamide?
The canonical SMILES for 1-benzothiophene-5-carboxamide is NC(=O)c1ccc2sccc2c1.
What is the InChIKey of 1-benzothiophene-5-carboxamide?
The InChIKey is SWLXXUVUBCIWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NOS/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-5H,(H2,10,11).
What are the key properties of 1-benzothiophene-5-carboxamide?
1-benzothiophene-5-carboxamide has a molecular weight of 177.23 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophene-5-carboxamide is sourced from PubChem (CID 23512795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).