5-(3-hydroxyprop-1-ynyl)-N-(2-phenoxyethyl)thiophene-3-carboxamide

C16H15NO3S — CID 79690422

IUPAC5-(3-hydroxyprop-1-ynyl)-N-(2-phenoxyethyl)thiophene-3-carboxamide
SMILESO=C(NCCOc1ccccc1)c1csc(C#CCO)c1
InChIInChI=1S/C16H15NO3S/c18-9-4-7-15-11-13(12-21-15)16(19)17-8-10-20-14-5-2-1-3-6-14/h1-3,5-6,11-12,18H,8-10H2,(H,17,19)
InChIKeyGYZFPMQDEKXXMA-UHFFFAOYSA-N
MW301.37 g/mol
LogP1.90
Rot. Bonds5

About 5-(3-hydroxyprop-1-ynyl)-N-(2-phenoxyethyl)thiophene-3-carboxamide

5-(3-hydroxyprop-1-ynyl)-N-(2-phenoxyethyl)thiophene-3-carboxamide (PubChem CID 79690422) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 5-(3-hydroxyprop-1-ynyl)-N-(2-phenoxyethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-(3-hydroxyprop-1-ynyl)-N-(2-phenoxyethyl)thiophene-3-carboxamide
PubChem CID79690422
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Name5-(3-hydroxyprop-1-ynyl)-N-(2-phenoxyethyl)thiophene-3-carboxamide
SMILESO=C(NCCOc1ccccc1)c1csc(C#CCO)c1
InChIInChI=1S/C16H15NO3S/c18-9-4-7-15-11-13(12-21-15)16(19)17-8-10-20-14-5-2-1-3-6-14/h1-3,5-6,11-12,18H,8-10H2,(H,17,19)
InChIKeyGYZFPMQDEKXXMA-UHFFFAOYSA-N
XLogP1.90
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)-N-(2-phenoxyethyl)thiophene-3-carboxamide?
The IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-(2-phenoxyethyl)thiophene-3-carboxamide (CID 79690422) is 5-(3-hydroxyprop-1-ynyl)-N-(2-phenoxyethyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-(3-hydroxyprop-1-ynyl)-N-(2-phenoxyethyl)thiophene-3-carboxamide?
The canonical SMILES for 5-(3-hydroxyprop-1-ynyl)-N-(2-phenoxyethyl)thiophene-3-carboxamide is O=C(NCCOc1ccccc1)c1csc(C#CCO)c1.
What is the InChIKey of 5-(3-hydroxyprop-1-ynyl)-N-(2-phenoxyethyl)thiophene-3-carboxamide?
The InChIKey is GYZFPMQDEKXXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S/c18-9-4-7-15-11-13(12-21-15)16(19)17-8-10-20-14-5-2-1-3-6-14/h1-3,5-6,11-12,18H,8-10H2,(H,17,19).
What are the key properties of 5-(3-hydroxyprop-1-ynyl)-N-(2-phenoxyethyl)thiophene-3-carboxamide?
5-(3-hydroxyprop-1-ynyl)-N-(2-phenoxyethyl)thiophene-3-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyprop-1-ynyl)-N-(2-phenoxyethyl)thiophene-3-carboxamide is sourced from PubChem (CID 79690422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).