5-(3-hydroxyprop-1-ynyl)-4-methyl-N-(3-methylbutyl)thiophene-2-carboxamide

C14H19NO2S — CID 79981758

IUPAC5-(3-hydroxyprop-1-ynyl)-4-methyl-N-(3-methylbutyl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)NCCC(C)C)sc1C#CCO
InChIInChI=1S/C14H19NO2S/c1-10(2)6-7-15-14(17)13-9-11(3)12(18-13)5-4-8-16/h9-10,16H,6-8H2,1-3H3,(H,15,17)
InChIKeyBVTQPLFGRYHLQD-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.18
Rot. Bonds4

About 5-(3-hydroxyprop-1-ynyl)-4-methyl-N-(3-methylbutyl)thiophene-2-carboxamide

5-(3-hydroxyprop-1-ynyl)-4-methyl-N-(3-methylbutyl)thiophene-2-carboxamide (PubChem CID 79981758) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 5-(3-hydroxyprop-1-ynyl)-4-methyl-N-(3-methylbutyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-hydroxyprop-1-ynyl)-4-methyl-N-(3-methylbutyl)thiophene-2-carboxamide
PubChem CID79981758
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name5-(3-hydroxyprop-1-ynyl)-4-methyl-N-(3-methylbutyl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)NCCC(C)C)sc1C#CCO
InChIInChI=1S/C14H19NO2S/c1-10(2)6-7-15-14(17)13-9-11(3)12(18-13)5-4-8-16/h9-10,16H,6-8H2,1-3H3,(H,15,17)
InChIKeyBVTQPLFGRYHLQD-UHFFFAOYSA-N
XLogP2.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.18
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 5-(3-hydroxyprop-1-ynyl)-4-methyl-N-(3-methylbutyl)thiophene-2-carboxamide?
The IUPAC name of 5-(3-hydroxyprop-1-ynyl)-4-methyl-N-(3-methylbutyl)thiophene-2-carboxamide (CID 79981758) is 5-(3-hydroxyprop-1-ynyl)-4-methyl-N-(3-methylbutyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(3-hydroxyprop-1-ynyl)-4-methyl-N-(3-methylbutyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(3-hydroxyprop-1-ynyl)-4-methyl-N-(3-methylbutyl)thiophene-2-carboxamide is Cc1cc(C(=O)NCCC(C)C)sc1C#CCO.
What is the InChIKey of 5-(3-hydroxyprop-1-ynyl)-4-methyl-N-(3-methylbutyl)thiophene-2-carboxamide?
The InChIKey is BVTQPLFGRYHLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-10(2)6-7-15-14(17)13-9-11(3)12(18-13)5-4-8-16/h9-10,16H,6-8H2,1-3H3,(H,15,17).
What are the key properties of 5-(3-hydroxyprop-1-ynyl)-4-methyl-N-(3-methylbutyl)thiophene-2-carboxamide?
5-(3-hydroxyprop-1-ynyl)-4-methyl-N-(3-methylbutyl)thiophene-2-carboxamide has a molecular weight of 265.38 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyprop-1-ynyl)-4-methyl-N-(3-methylbutyl)thiophene-2-carboxamide is sourced from PubChem (CID 79981758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).