N-[2-(4-hydroxybut-1-ynyl)phenyl]thiophene-3-carboxamide

C15H13NO2S — CID 54923100

IUPACN-[2-(4-hydroxybut-1-ynyl)phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1ccccc1C#CCCO)c1ccsc1
InChIInChI=1S/C15H13NO2S/c17-9-4-3-6-12-5-1-2-7-14(12)16-15(18)13-8-10-19-11-13/h1-2,5,7-8,10-11,17H,4,9H2,(H,16,18)
InChIKeyZLEJZPVHSVECNG-UHFFFAOYSA-N
MW271.34 g/mol
LogP2.73
Rot. Bonds3

About N-[2-(4-hydroxybut-1-ynyl)phenyl]thiophene-3-carboxamide

N-[2-(4-hydroxybut-1-ynyl)phenyl]thiophene-3-carboxamide (PubChem CID 54923100) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is N-[2-(4-hydroxybut-1-ynyl)phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxybut-1-ynyl)phenyl]thiophene-3-carboxamide
PubChem CID54923100
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC NameN-[2-(4-hydroxybut-1-ynyl)phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1ccccc1C#CCCO)c1ccsc1
InChIInChI=1S/C15H13NO2S/c17-9-4-3-6-12-5-1-2-7-14(12)16-15(18)13-8-10-19-11-13/h1-2,5,7-8,10-11,17H,4,9H2,(H,16,18)
InChIKeyZLEJZPVHSVECNG-UHFFFAOYSA-N
XLogP2.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(4-hydroxybut-1-ynyl)phenyl]thiophene-3-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-[2-(4-hydroxybut-1-ynyl)phenyl]pyridazine-4-carboxamide
CID 104671798
5-hydroxy-N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-3-carboxamide
CID 63852247
N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-2-carboxamide
CID 60804032
N-[2-(4-hydroxybut-1-ynyl)phenyl]-3-methylthiophene-2-carboxamide
CID 60803351
N-[2-(4-hydroxybut-1-ynyl)phenyl]-5-methylthiophene-2-carboxamide
CID 60803179
N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide
CID 60803344
4-hydroxy-N-[2-(3-hydroxyprop-1-ynyl)phenyl]benzamide
CID 60802926
N-[2-(4-hydroxybut-1-ynyl)phenyl]-3,3-dimethylbutanamide
CID 54922386
N-[2-(4-hydroxybut-1-ynyl)phenyl]-1-methylpyrazole-3-carboxamide
CID 103121232
2-acetamido-N-[2-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 54923051
3-fluoro-N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-4-carboxamide
CID 64949324
4-chloro-N-[2-(4-hydroxybut-1-ynyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 60802662

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxybut-1-ynyl)phenyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-(4-hydroxybut-1-ynyl)phenyl]thiophene-3-carboxamide (CID 54923100) is N-[2-(4-hydroxybut-1-ynyl)phenyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-(4-hydroxybut-1-ynyl)phenyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-(4-hydroxybut-1-ynyl)phenyl]thiophene-3-carboxamide is O=C(Nc1ccccc1C#CCCO)c1ccsc1.
What is the InChIKey of N-[2-(4-hydroxybut-1-ynyl)phenyl]thiophene-3-carboxamide?
The InChIKey is ZLEJZPVHSVECNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c17-9-4-3-6-12-5-1-2-7-14(12)16-15(18)13-8-10-19-11-13/h1-2,5,7-8,10-11,17H,4,9H2,(H,16,18).
What are the key properties of N-[2-(4-hydroxybut-1-ynyl)phenyl]thiophene-3-carboxamide?
N-[2-(4-hydroxybut-1-ynyl)phenyl]thiophene-3-carboxamide has a molecular weight of 271.34 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxybut-1-ynyl)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 54923100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).