N-(3-ethylpentan-2-yl)-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide

C17H25NO2S — CID 79977682

IUPACN-(3-ethylpentan-2-yl)-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide
SMILESCCC(CC)C(C)NC(=O)c1cc(C)c(C#CCCO)s1
InChIInChI=1S/C17H25NO2S/c1-5-14(6-2)13(4)18-17(20)16-11-12(3)15(21-16)9-7-8-10-19/h11,13-14,19H,5-6,8,10H2,1-4H3,(H,18,20)
InChIKeyQLCPHEXAYQDIOR-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.34
Rot. Bonds6

About N-(3-ethylpentan-2-yl)-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide

N-(3-ethylpentan-2-yl)-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide (PubChem CID 79977682) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is N-(3-ethylpentan-2-yl)-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethylpentan-2-yl)-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide
PubChem CID79977682
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC NameN-(3-ethylpentan-2-yl)-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide
SMILESCCC(CC)C(C)NC(=O)c1cc(C)c(C#CCCO)s1
InChIInChI=1S/C17H25NO2S/c1-5-14(6-2)13(4)18-17(20)16-11-12(3)15(21-16)9-7-8-10-19/h11,13-14,19H,5-6,8,10H2,1-4H3,(H,18,20)
InChIKeyQLCPHEXAYQDIOR-UHFFFAOYSA-N
XLogP3.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.34
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

N-(1-amino-3-methyl-1-oxobutan-2-yl)-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide
CID 106346955
N-butyl-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide
CID 79981172
5-(4-hydroxybut-1-ynyl)-4-methyl-N-(3-methylpentan-3-yl)thiophene-2-carboxamide
CID 106331042
ethyl 2-[[5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carbonyl]amino]propanoate
CID 79981948
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-(1H-imidazol-2-yl)-4-methylthiophene-2-carboxamide
CID 79990264
N-(1-amino-3-methyl-1-oxobutan-2-yl)-5-(3-aminoprop-1-ynyl)-4-methylthiophene-2-carboxamide
CID 106346971
5-(4-hydroxybut-1-ynyl)-N,4-dimethyl-N-(3-methylbutan-2-yl)thiophene-2-carboxamide
CID 79981401
5-(4-hydroxybut-1-ynyl)-4-methyl-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide
CID 79989765
5-(4-hydroxybut-1-ynyl)-4-methyl-N-pyridin-3-ylthiophene-2-carboxamide
CID 79982128
5-(4-hydroxybut-1-ynyl)-N,4-dimethyl-N-propylthiophene-2-carboxamide
CID 79981780
5-(3-hydroxyprop-1-ynyl)-4-methyl-N-(6-methylheptan-2-yl)thiophene-2-carboxamide
CID 79977484

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-2-yl)-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide?
The IUPAC name of N-(3-ethylpentan-2-yl)-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide (CID 79977682) is N-(3-ethylpentan-2-yl)-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-ethylpentan-2-yl)-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-(3-ethylpentan-2-yl)-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide is CCC(CC)C(C)NC(=O)c1cc(C)c(C#CCCO)s1.
What is the InChIKey of N-(3-ethylpentan-2-yl)-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide?
The InChIKey is QLCPHEXAYQDIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2S/c1-5-14(6-2)13(4)18-17(20)16-11-12(3)15(21-16)9-7-8-10-19/h11,13-14,19H,5-6,8,10H2,1-4H3,(H,18,20).
What are the key properties of N-(3-ethylpentan-2-yl)-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide?
N-(3-ethylpentan-2-yl)-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide has a molecular weight of 307.46 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-2-yl)-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 79977682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).