5-(4-hydroxybut-1-ynyl)-N-pentan-2-ylthiophene-2-carboxamide

C14H19NO2S — CID 61074909

IUPAC5-(4-hydroxybut-1-ynyl)-N-pentan-2-ylthiophene-2-carboxamide
SMILESCCCC(C)NC(=O)c1ccc(C#CCCO)s1
InChIInChI=1S/C14H19NO2S/c1-3-6-11(2)15-14(17)13-9-8-12(18-13)7-4-5-10-16/h8-9,11,16H,3,5-6,10H2,1-2H3,(H,15,17)
InChIKeyCOELHIANNHUGPX-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.40
Rot. Bonds5

About 5-(4-hydroxybut-1-ynyl)-N-pentan-2-ylthiophene-2-carboxamide

5-(4-hydroxybut-1-ynyl)-N-pentan-2-ylthiophene-2-carboxamide (PubChem CID 61074909) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 5-(4-hydroxybut-1-ynyl)-N-pentan-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-hydroxybut-1-ynyl)-N-pentan-2-ylthiophene-2-carboxamide
PubChem CID61074909
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name5-(4-hydroxybut-1-ynyl)-N-pentan-2-ylthiophene-2-carboxamide
SMILESCCCC(C)NC(=O)c1ccc(C#CCCO)s1
InChIInChI=1S/C14H19NO2S/c1-3-6-11(2)15-14(17)13-9-8-12(18-13)7-4-5-10-16/h8-9,11,16H,3,5-6,10H2,1-2H3,(H,15,17)
InChIKeyCOELHIANNHUGPX-UHFFFAOYSA-N
XLogP2.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-aminoprop-1-ynyl)-N-butan-2-ylthiophene-2-carboxamide
CID 61075649
N-[2-(diethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 61075989
[5-(4-hydroxybut-1-ynyl)thiophen-2-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106837182
N,N-diethyl-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 61075799
2-[[5-(4-hydroxybut-1-ynyl)thiophene-2-carbonyl]amino]ethyl carbamate
CID 83204803
N-[2-(dimethylsulfamoyl)ethyl]-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 106342113
N-(cyclohexylmethyl)-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 61075104
5-(3-aminoprop-1-ynyl)-N-(1-phenylpropan-2-yl)thiophene-2-carboxamide
CID 63010792
5-(4-hydroxybut-1-ynyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-carboxamide
CID 112663411
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-pentan-2-ylbenzamide
CID 60817366
N-(3-fluoro-5-methylphenyl)-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 79046237
5-(4-hydroxybut-1-ynyl)-N-(1-methyl-6-oxopiperidin-3-yl)thiophene-2-carboxamide
CID 64668256

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxybut-1-ynyl)-N-pentan-2-ylthiophene-2-carboxamide?
The IUPAC name of 5-(4-hydroxybut-1-ynyl)-N-pentan-2-ylthiophene-2-carboxamide (CID 61074909) is 5-(4-hydroxybut-1-ynyl)-N-pentan-2-ylthiophene-2-carboxamide.
What is the SMILES notation for 5-(4-hydroxybut-1-ynyl)-N-pentan-2-ylthiophene-2-carboxamide?
The canonical SMILES for 5-(4-hydroxybut-1-ynyl)-N-pentan-2-ylthiophene-2-carboxamide is CCCC(C)NC(=O)c1ccc(C#CCCO)s1.
What is the InChIKey of 5-(4-hydroxybut-1-ynyl)-N-pentan-2-ylthiophene-2-carboxamide?
The InChIKey is COELHIANNHUGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-3-6-11(2)15-14(17)13-9-8-12(18-13)7-4-5-10-16/h8-9,11,16H,3,5-6,10H2,1-2H3,(H,15,17).
What are the key properties of 5-(4-hydroxybut-1-ynyl)-N-pentan-2-ylthiophene-2-carboxamide?
5-(4-hydroxybut-1-ynyl)-N-pentan-2-ylthiophene-2-carboxamide has a molecular weight of 265.38 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxybut-1-ynyl)-N-pentan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 61074909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).