N-(2-hydroxy-2-thiophen-3-ylethyl)-2,5-dimethylfuran-3-carboxamide

C13H15NO3S — CID 52992592

IUPACN-(2-hydroxy-2-thiophen-3-ylethyl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC(O)c2ccsc2)c(C)o1
InChIInChI=1S/C13H15NO3S/c1-8-5-11(9(2)17-8)13(16)14-6-12(15)10-3-4-18-7-10/h3-5,7,12,15H,6H2,1-2H3,(H,14,16)
InChIKeyGOSNJSWYVVRHAF-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.42
Rot. Bonds4

About N-(2-hydroxy-2-thiophen-3-ylethyl)-2,5-dimethylfuran-3-carboxamide

N-(2-hydroxy-2-thiophen-3-ylethyl)-2,5-dimethylfuran-3-carboxamide (PubChem CID 52992592) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylethyl)-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylethyl)-2,5-dimethylfuran-3-carboxamide
PubChem CID52992592
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylethyl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC(O)c2ccsc2)c(C)o1
InChIInChI=1S/C13H15NO3S/c1-8-5-11(9(2)17-8)13(16)14-6-12(15)10-3-4-18-7-10/h3-5,7,12,15H,6H2,1-2H3,(H,14,16)
InChIKeyGOSNJSWYVVRHAF-UHFFFAOYSA-N
XLogP2.42
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-2,5-dimethylfuran-3-carboxamide (CID 52992592) is N-(2-hydroxy-2-thiophen-3-ylethyl)-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylethyl)-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylethyl)-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NCC(O)c2ccsc2)c(C)o1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylethyl)-2,5-dimethylfuran-3-carboxamide?
The InChIKey is GOSNJSWYVVRHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S/c1-8-5-11(9(2)17-8)13(16)14-6-12(15)10-3-4-18-7-10/h3-5,7,12,15H,6H2,1-2H3,(H,14,16).
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylethyl)-2,5-dimethylfuran-3-carboxamide?
N-(2-hydroxy-2-thiophen-3-ylethyl)-2,5-dimethylfuran-3-carboxamide has a molecular weight of 265.33 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-3-ylethyl)-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 52992592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).