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

C14H17NO3S — CID 71782346

IUPACN-(2-hydroxy-2-thiophen-2-ylpropyl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC(C)(O)c2cccs2)c(C)o1
InChIInChI=1S/C14H17NO3S/c1-9-7-11(10(2)18-9)13(16)15-8-14(3,17)12-5-4-6-19-12/h4-7,17H,8H2,1-3H3,(H,15,16)
InChIKeyMRSZBUILEMFJJY-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.60
Rot. Bonds4

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

N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,5-dimethylfuran-3-carboxamide (PubChem CID 71782346) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-2-ylpropyl)-2,5-dimethylfuran-3-carboxamide
PubChem CID71782346
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC NameN-(2-hydroxy-2-thiophen-2-ylpropyl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC(C)(O)c2cccs2)c(C)o1
InChIInChI=1S/C14H17NO3S/c1-9-7-11(10(2)18-9)13(16)15-8-14(3,17)12-5-4-6-19-12/h4-7,17H,8H2,1-3H3,(H,15,16)
InChIKeyMRSZBUILEMFJJY-UHFFFAOYSA-N
XLogP2.60
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.60
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-2-ylpropyl)-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,5-dimethylfuran-3-carboxamide (CID 71782346) is N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NCC(C)(O)c2cccs2)c(C)o1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,5-dimethylfuran-3-carboxamide?
The InChIKey is MRSZBUILEMFJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-9-7-11(10(2)18-9)13(16)15-8-14(3,17)12-5-4-6-19-12/h4-7,17H,8H2,1-3H3,(H,15,16).
What are the key properties of N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,5-dimethylfuran-3-carboxamide?
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,5-dimethylfuran-3-carboxamide has a molecular weight of 279.36 g/mol, XLogP of 2.60, 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-2-ylpropyl)-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 71782346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).