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

C14H17NO3S — CID 71787792

IUPACN-(3-hydroxy-3-thiophen-2-ylpropyl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCCC(O)c2cccs2)c(C)o1
InChIInChI=1S/C14H17NO3S/c1-9-8-11(10(2)18-9)14(17)15-6-5-12(16)13-4-3-7-19-13/h3-4,7-8,12,16H,5-6H2,1-2H3,(H,15,17)
InChIKeySDIYLMXWZOTRAO-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.81
Rot. Bonds5

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

N-(3-hydroxy-3-thiophen-2-ylpropyl)-2,5-dimethylfuran-3-carboxamide (PubChem CID 71787792) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is N-(3-hydroxy-3-thiophen-2-ylpropyl)-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-thiophen-2-ylpropyl)-2,5-dimethylfuran-3-carboxamide
PubChem CID71787792
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC NameN-(3-hydroxy-3-thiophen-2-ylpropyl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCCC(O)c2cccs2)c(C)o1
InChIInChI=1S/C14H17NO3S/c1-9-8-11(10(2)18-9)14(17)15-6-5-12(16)13-4-3-7-19-13/h3-4,7-8,12,16H,5-6H2,1-2H3,(H,15,17)
InChIKeySDIYLMXWZOTRAO-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-thiophen-2-ylpropyl)-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-(3-hydroxy-3-thiophen-2-ylpropyl)-2,5-dimethylfuran-3-carboxamide (CID 71787792) is N-(3-hydroxy-3-thiophen-2-ylpropyl)-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(3-hydroxy-3-thiophen-2-ylpropyl)-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(3-hydroxy-3-thiophen-2-ylpropyl)-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NCCC(O)c2cccs2)c(C)o1.
What is the InChIKey of N-(3-hydroxy-3-thiophen-2-ylpropyl)-2,5-dimethylfuran-3-carboxamide?
The InChIKey is SDIYLMXWZOTRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-9-8-11(10(2)18-9)14(17)15-6-5-12(16)13-4-3-7-19-13/h3-4,7-8,12,16H,5-6H2,1-2H3,(H,15,17).
What are the key properties of N-(3-hydroxy-3-thiophen-2-ylpropyl)-2,5-dimethylfuran-3-carboxamide?
N-(3-hydroxy-3-thiophen-2-ylpropyl)-2,5-dimethylfuran-3-carboxamide has a molecular weight of 279.36 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-thiophen-2-ylpropyl)-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 71787792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).