5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylthiophene-3-carboxamide

C13H17NO2S — CID 79694004

IUPAC5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylthiophene-3-carboxamide
SMILESCCC(CC)NC(=O)c1csc(C#CCO)c1
InChIInChI=1S/C13H17NO2S/c1-3-11(4-2)14-13(16)10-8-12(17-9-10)6-5-7-15/h8-9,11,15H,3-4,7H2,1-2H3,(H,14,16)
InChIKeyQFDYLMSKJHYPEC-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.01
Rot. Bonds4

About 5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylthiophene-3-carboxamide

5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylthiophene-3-carboxamide (PubChem CID 79694004) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is 5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylthiophene-3-carboxamide
PubChem CID79694004
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC Name5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylthiophene-3-carboxamide
SMILESCCC(CC)NC(=O)c1csc(C#CCO)c1
InChIInChI=1S/C13H17NO2S/c1-3-11(4-2)14-13(16)10-8-12(17-9-10)6-5-7-15/h8-9,11,15H,3-4,7H2,1-2H3,(H,14,16)
InChIKeyQFDYLMSKJHYPEC-UHFFFAOYSA-N
XLogP2.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylthiophene-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-heptan-2-yl-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 79696487
5-(3-aminoprop-1-ynyl)-N-hexan-3-ylthiophene-3-carboxamide
CID 79683789
N-[1-(4-fluorophenyl)ethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 79690063
N-[1-(2-chlorophenyl)ethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 79690067
5-(3-hydroxyprop-1-ynyl)-N-[1-(1,3-thiazol-2-yl)ethyl]thiophene-3-carboxamide
CID 79696788
5-(4-hydroxybut-1-ynyl)-N-(4-methylhexan-2-yl)thiophene-3-carboxamide
CID 79695974
5-(3-hydroxyprop-1-ynyl)-N-(2,4,6-trimethylphenyl)thiophene-3-carboxamide
CID 79692226
N-(2,5-dimethylphenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 79696672
5-(3-hydroxyprop-1-ynyl)-N-(4-propylcyclohexyl)thiophene-3-carboxamide
CID 79690216
5-(3-hydroxyprop-1-ynyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 79693657
5-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclohexyl)thiophene-3-carboxamide
CID 79696223
5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylpyridine-3-carboxamide
CID 54975093

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylthiophene-3-carboxamide?
The IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylthiophene-3-carboxamide (CID 79694004) is 5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylthiophene-3-carboxamide.
What is the SMILES notation for 5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylthiophene-3-carboxamide?
The canonical SMILES for 5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylthiophene-3-carboxamide is CCC(CC)NC(=O)c1csc(C#CCO)c1.
What is the InChIKey of 5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylthiophene-3-carboxamide?
The InChIKey is QFDYLMSKJHYPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-3-11(4-2)14-13(16)10-8-12(17-9-10)6-5-7-15/h8-9,11,15H,3-4,7H2,1-2H3,(H,14,16).
What are the key properties of 5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylthiophene-3-carboxamide?
5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylthiophene-3-carboxamide has a molecular weight of 251.35 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylthiophene-3-carboxamide is sourced from PubChem (CID 79694004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).