N-but-3-yn-2-yl-1-benzothiophene-2-carboxamide

C13H11NOS — CID 114389678

IUPACN-but-3-yn-2-yl-1-benzothiophene-2-carboxamide
SMILESC#CC(C)NC(=O)c1cc2ccccc2s1
InChIInChI=1S/C13H11NOS/c1-3-9(2)14-13(15)12-8-10-6-4-5-7-11(10)16-12/h1,4-9H,2H3,(H,14,15)
InChIKeyQYPZHPUWOCYQKE-UHFFFAOYSA-N
MW229.30 g/mol
LogP2.65
Rot. Bonds2

About N-but-3-yn-2-yl-1-benzothiophene-2-carboxamide

N-but-3-yn-2-yl-1-benzothiophene-2-carboxamide (PubChem CID 114389678) has the molecular formula C13H11NOS and a molecular weight of 229.30 g/mol. Its IUPAC name is N-but-3-yn-2-yl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-but-3-yn-2-yl-1-benzothiophene-2-carboxamide
PubChem CID114389678
Molecular FormulaC13H11NOS
Molecular Weight229.30 g/mol
Exact Mass229.06
IUPAC NameN-but-3-yn-2-yl-1-benzothiophene-2-carboxamide
SMILESC#CC(C)NC(=O)c1cc2ccccc2s1
InChIInChI=1S/C13H11NOS/c1-3-9(2)14-13(15)12-8-10-6-4-5-7-11(10)16-12/h1,4-9H,2H3,(H,14,15)
InChIKeyQYPZHPUWOCYQKE-UHFFFAOYSA-N
XLogP2.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-but-3-yn-2-yl-1-benzothiophene-2-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

N-(1-cyano-2-methylpropyl)-1-benzothiophene-2-carboxamide
CID 63931473
N-(1-hydroxy-3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide
CID 79252054
N-[1-(3,4-difluorophenyl)ethyl]-1-benzothiophene-2-carboxamide
CID 134049414
N-(3-aminobutyl)-1-benzothiophene-2-carboxamide
CID 63253981
2-(1-benzothiophene-2-carbonylamino)butanoic acid
CID 43388189
N-(1-hydroxybutan-2-yl)-1-benzothiophene-2-carboxamide
CID 43393191
N-(1-bromo-4-methylpentan-3-yl)-1-benzothiophene-2-carboxamide
CID 114177755
(1-benzothiophene-2-carbonylamino)urea
CID 57488392
N-(1-cyanobutyl)-1-benzothiophene-2-carboxamide
CID 61407019
N-[1-(2-oxo-1H-pyridin-4-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 146088412
2-[(1R)-1-(1-benzothiophene-2-carbonylamino)ethyl]-N-hydroxy-1,3-thiazole-5-carboxamide
CID 58418239
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-1-benzothiophene-2-carboxamide
CID 62665755

Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-yl-1-benzothiophene-2-carboxamide?
The IUPAC name of N-but-3-yn-2-yl-1-benzothiophene-2-carboxamide (CID 114389678) is N-but-3-yn-2-yl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-but-3-yn-2-yl-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-but-3-yn-2-yl-1-benzothiophene-2-carboxamide is C#CC(C)NC(=O)c1cc2ccccc2s1.
What is the InChIKey of N-but-3-yn-2-yl-1-benzothiophene-2-carboxamide?
The InChIKey is QYPZHPUWOCYQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NOS/c1-3-9(2)14-13(15)12-8-10-6-4-5-7-11(10)16-12/h1,4-9H,2H3,(H,14,15).
What are the key properties of N-but-3-yn-2-yl-1-benzothiophene-2-carboxamide?
N-but-3-yn-2-yl-1-benzothiophene-2-carboxamide has a molecular weight of 229.30 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-yl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 114389678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).