N-butyl-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide

C14H19NO2S — CID 79981172

IUPACN-butyl-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide
SMILESCCCCNC(=O)c1cc(C)c(C#CCCO)s1
InChIInChI=1S/C14H19NO2S/c1-3-4-8-15-14(17)13-10-11(2)12(18-13)7-5-6-9-16/h10,16H,3-4,6,8-9H2,1-2H3,(H,15,17)
InChIKeyZLDHZOLPPTVQLV-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.32
Rot. Bonds5

About N-butyl-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide

N-butyl-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide (PubChem CID 79981172) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is N-butyl-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-butyl-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide
PubChem CID79981172
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC NameN-butyl-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide
SMILESCCCCNC(=O)c1cc(C)c(C#CCCO)s1
InChIInChI=1S/C14H19NO2S/c1-3-4-8-15-14(17)13-10-11(2)12(18-13)7-5-6-9-16/h10,16H,3-4,6,8-9H2,1-2H3,(H,15,17)
InChIKeyZLDHZOLPPTVQLV-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-butyl-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-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

5-(4-hydroxybut-1-ynyl)-4-methyl-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide
CID 79989765
5-(3-hydroxyprop-1-ynyl)-4-methyl-N-propylthiophene-2-carboxamide
CID 79982122
N-(2-cyclopentylethyl)-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide
CID 79977338
5-(4-hydroxybut-1-ynyl)-4-methyl-N-(3-methylpentan-3-yl)thiophene-2-carboxamide
CID 106331042
N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide
CID 106279776
5-(4-hydroxybut-1-ynyl)-N,4-dimethyl-N-propylthiophene-2-carboxamide
CID 79981780
5-(4-hydroxybut-1-ynyl)-N-[2-(1H-imidazol-5-yl)ethyl]-4-methylthiophene-2-carboxamide
CID 79978528
N-(5-amino-5-oxopentyl)-5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carboxamide
CID 106240566
N-(3-ethylpentan-2-yl)-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide
CID 79977682
5-(3-hydroxyprop-1-ynyl)-4-methyl-N-(5,5,5-trifluoropentyl)thiophene-2-carboxamide
CID 115521791
5-(4-hydroxybut-1-ynyl)-4-methyl-N-(1,2-oxazol-5-ylmethyl)thiophene-2-carboxamide
CID 106422366
5-(3-hydroxyprop-1-ynyl)-4-methyl-N-(3-methylbutyl)thiophene-2-carboxamide
CID 79981758

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide?
The IUPAC name of N-butyl-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide (CID 79981172) is N-butyl-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-butyl-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-butyl-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide is CCCCNC(=O)c1cc(C)c(C#CCCO)s1.
What is the InChIKey of N-butyl-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide?
The InChIKey is ZLDHZOLPPTVQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-3-4-8-15-14(17)13-10-11(2)12(18-13)7-5-6-9-16/h10,16H,3-4,6,8-9H2,1-2H3,(H,15,17).
What are the key properties of N-butyl-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide?
N-butyl-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide has a molecular weight of 265.38 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 79981172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).