3-ethyl-N-hex-5-yn-3-ylthiophene-2-carboxamide

C13H17NOS — CID 115647216

IUPAC3-ethyl-N-hex-5-yn-3-ylthiophene-2-carboxamide
SMILESC#CCC(CC)NC(=O)c1sccc1CC
InChIInChI=1S/C13H17NOS/c1-4-7-11(6-3)14-13(15)12-10(5-2)8-9-16-12/h1,8-9,11H,5-7H2,2-3H3,(H,14,15)
InChIKeyNMRAXRPDYDPASD-UHFFFAOYSA-N
MW235.35 g/mol
LogP2.84
Rot. Bonds5

About 3-ethyl-N-hex-5-yn-3-ylthiophene-2-carboxamide

3-ethyl-N-hex-5-yn-3-ylthiophene-2-carboxamide (PubChem CID 115647216) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is 3-ethyl-N-hex-5-yn-3-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-hex-5-yn-3-ylthiophene-2-carboxamide
PubChem CID115647216
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC Name3-ethyl-N-hex-5-yn-3-ylthiophene-2-carboxamide
SMILESC#CCC(CC)NC(=O)c1sccc1CC
InChIInChI=1S/C13H17NOS/c1-4-7-11(6-3)14-13(15)12-10(5-2)8-9-16-12/h1,8-9,11H,5-7H2,2-3H3,(H,14,15)
InChIKeyNMRAXRPDYDPASD-UHFFFAOYSA-N
XLogP2.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexylthiophene-2-carboxamide
CID 855035
3-methyl-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide
CID 841341
N-(2-ethylhexyl)-2-thiophenecarboxamide
CID 2915198
N-cyclopentyl-5-methylthiophene-2-carboxamide
CID 2373236
N-(2-Phenylethyl)-2-thiophenecarboxamide
CID 728650
N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 1245731
N-cyclooctylthiophene-2-carboxamide
CID 673377
N-(1-Methyl-2-(1-piperidinyl)ethyl)-2-thiophenecarboxamide
CID 2971109
N-(2,3-dimethylcyclohexyl)-2-thienylcarboxamide
CID 4072672
5-methyl-N-(4-methylcyclohexyl)thiophene-2-carboxamide
CID 18157799
3-methyl-N-(2-methylcyclohexyl)thiophene-2-carboxamide
CID 25162656
5-methyl-N-(thiophen-2-ylmethyl)thiophene-3-carboxamide
CID 1247750

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-hex-5-yn-3-ylthiophene-2-carboxamide?
The IUPAC name of 3-ethyl-N-hex-5-yn-3-ylthiophene-2-carboxamide (CID 115647216) is 3-ethyl-N-hex-5-yn-3-ylthiophene-2-carboxamide.
What is the SMILES notation for 3-ethyl-N-hex-5-yn-3-ylthiophene-2-carboxamide?
The canonical SMILES for 3-ethyl-N-hex-5-yn-3-ylthiophene-2-carboxamide is C#CCC(CC)NC(=O)c1sccc1CC.
What is the InChIKey of 3-ethyl-N-hex-5-yn-3-ylthiophene-2-carboxamide?
The InChIKey is NMRAXRPDYDPASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-4-7-11(6-3)14-13(15)12-10(5-2)8-9-16-12/h1,8-9,11H,5-7H2,2-3H3,(H,14,15).
What are the key properties of 3-ethyl-N-hex-5-yn-3-ylthiophene-2-carboxamide?
3-ethyl-N-hex-5-yn-3-ylthiophene-2-carboxamide has a molecular weight of 235.35 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-hex-5-yn-3-ylthiophene-2-carboxamide is sourced from PubChem (CID 115647216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).