3-(4-hydroxybut-1-ynyl)-N-(3-methylcyclopentyl)thiophene-2-carboxamide

C15H19NO2S — CID 114550678

IUPAC3-(4-hydroxybut-1-ynyl)-N-(3-methylcyclopentyl)thiophene-2-carboxamide
SMILESCC1CCC(NC(=O)c2sccc2C#CCCO)C1
InChIInChI=1S/C15H19NO2S/c1-11-5-6-13(10-11)16-15(18)14-12(7-9-19-14)4-2-3-8-17/h7,9,11,13,17H,3,5-6,8,10H2,1H3,(H,16,18)
InChIKeyHQAPQGUVPHEZRC-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.40
Rot. Bonds3

About 3-(4-hydroxybut-1-ynyl)-N-(3-methylcyclopentyl)thiophene-2-carboxamide

3-(4-hydroxybut-1-ynyl)-N-(3-methylcyclopentyl)thiophene-2-carboxamide (PubChem CID 114550678) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 3-(4-hydroxybut-1-ynyl)-N-(3-methylcyclopentyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(4-hydroxybut-1-ynyl)-N-(3-methylcyclopentyl)thiophene-2-carboxamide
PubChem CID114550678
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name3-(4-hydroxybut-1-ynyl)-N-(3-methylcyclopentyl)thiophene-2-carboxamide
SMILESCC1CCC(NC(=O)c2sccc2C#CCCO)C1
InChIInChI=1S/C15H19NO2S/c1-11-5-6-13(10-11)16-15(18)14-12(7-9-19-14)4-2-3-8-17/h7,9,11,13,17H,3,5-6,8,10H2,1H3,(H,16,18)
InChIKeyHQAPQGUVPHEZRC-UHFFFAOYSA-N
XLogP2.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
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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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxybut-1-ynyl)-N-(3-methylcyclopentyl)thiophene-2-carboxamide?
The IUPAC name of 3-(4-hydroxybut-1-ynyl)-N-(3-methylcyclopentyl)thiophene-2-carboxamide (CID 114550678) is 3-(4-hydroxybut-1-ynyl)-N-(3-methylcyclopentyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-(4-hydroxybut-1-ynyl)-N-(3-methylcyclopentyl)thiophene-2-carboxamide?
The canonical SMILES for 3-(4-hydroxybut-1-ynyl)-N-(3-methylcyclopentyl)thiophene-2-carboxamide is CC1CCC(NC(=O)c2sccc2C#CCCO)C1.
What is the InChIKey of 3-(4-hydroxybut-1-ynyl)-N-(3-methylcyclopentyl)thiophene-2-carboxamide?
The InChIKey is HQAPQGUVPHEZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-11-5-6-13(10-11)16-15(18)14-12(7-9-19-14)4-2-3-8-17/h7,9,11,13,17H,3,5-6,8,10H2,1H3,(H,16,18).
What are the key properties of 3-(4-hydroxybut-1-ynyl)-N-(3-methylcyclopentyl)thiophene-2-carboxamide?
3-(4-hydroxybut-1-ynyl)-N-(3-methylcyclopentyl)thiophene-2-carboxamide has a molecular weight of 277.39 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxybut-1-ynyl)-N-(3-methylcyclopentyl)thiophene-2-carboxamide is sourced from PubChem (CID 114550678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).