5-ethyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)furan-2-carboxamide

C14H17NO3S — CID 111442034

IUPAC5-ethyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)furan-2-carboxamide
SMILESCCc1ccc(C(=O)NCC(C)(O)c2cccs2)o1
InChIInChI=1S/C14H17NO3S/c1-3-10-6-7-11(18-10)13(16)15-9-14(2,17)12-5-4-8-19-12/h4-8,17H,3,9H2,1-2H3,(H,15,16)
InChIKeyPDZDWNZFJHVIKX-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.54
Rot. Bonds5

About 5-ethyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)furan-2-carboxamide

5-ethyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)furan-2-carboxamide (PubChem CID 111442034) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is 5-ethyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)furan-2-carboxamide
PubChem CID111442034
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name5-ethyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)furan-2-carboxamide
SMILESCCc1ccc(C(=O)NCC(C)(O)c2cccs2)o1
InChIInChI=1S/C14H17NO3S/c1-3-10-6-7-11(18-10)13(16)15-9-14(2,17)12-5-4-8-19-12/h4-8,17H,3,9H2,1-2H3,(H,15,16)
InChIKeyPDZDWNZFJHVIKX-UHFFFAOYSA-N
XLogP2.54
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)furan-2-carboxamide?
The IUPAC name of 5-ethyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)furan-2-carboxamide (CID 111442034) is 5-ethyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)furan-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)furan-2-carboxamide?
The canonical SMILES for 5-ethyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)furan-2-carboxamide is CCc1ccc(C(=O)NCC(C)(O)c2cccs2)o1.
What is the InChIKey of 5-ethyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)furan-2-carboxamide?
The InChIKey is PDZDWNZFJHVIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-3-10-6-7-11(18-10)13(16)15-9-14(2,17)12-5-4-8-19-12/h4-8,17H,3,9H2,1-2H3,(H,15,16).
What are the key properties of 5-ethyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)furan-2-carboxamide?
5-ethyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)furan-2-carboxamide has a molecular weight of 279.36 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)furan-2-carboxamide is sourced from PubChem (CID 111442034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).