(2R,4R)-2-(4-hydroxybutoxy)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide

C14H19NO4S — CID 23975630

IUPAC(2R,4R)-2-(4-hydroxybutoxy)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESNC(=O)C1=C[C@H](c2ccsc2)C[C@H](OCCCCO)O1
InChIInChI=1S/C14H19NO4S/c15-14(17)12-7-11(10-3-6-20-9-10)8-13(19-12)18-5-2-1-4-16/h3,6-7,9,11,13,16H,1-2,4-5,8H2,(H2,15,17)/t11-,13+/m0/s1
InChIKeyRHIFBAHOEUUQCX-WCQYABFASA-N
MW297.38 g/mol
LogP1.74
Rot. Bonds7

About (2R,4R)-2-(4-hydroxybutoxy)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide

(2R,4R)-2-(4-hydroxybutoxy)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 23975630) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is (2R,4R)-2-(4-hydroxybutoxy)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name(2R,4R)-2-(4-hydroxybutoxy)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID23975630
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name(2R,4R)-2-(4-hydroxybutoxy)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESNC(=O)C1=C[C@H](c2ccsc2)C[C@H](OCCCCO)O1
InChIInChI=1S/C14H19NO4S/c15-14(17)12-7-11(10-3-6-20-9-10)8-13(19-12)18-5-2-1-4-16/h3,6-7,9,11,13,16H,1-2,4-5,8H2,(H2,15,17)/t11-,13+/m0/s1
InChIKeyRHIFBAHOEUUQCX-WCQYABFASA-N
XLogP1.74
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-(4-hydroxybutoxy)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of (2R,4R)-2-(4-hydroxybutoxy)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide (CID 23975630) is (2R,4R)-2-(4-hydroxybutoxy)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for (2R,4R)-2-(4-hydroxybutoxy)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for (2R,4R)-2-(4-hydroxybutoxy)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide is NC(=O)C1=C[C@H](c2ccsc2)C[C@H](OCCCCO)O1.
What is the InChIKey of (2R,4R)-2-(4-hydroxybutoxy)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is RHIFBAHOEUUQCX-WCQYABFASA-N. The full InChI is InChI=1S/C14H19NO4S/c15-14(17)12-7-11(10-3-6-20-9-10)8-13(19-12)18-5-2-1-4-16/h3,6-7,9,11,13,16H,1-2,4-5,8H2,(H2,15,17)/t11-,13+/m0/s1.
What are the key properties of (2R,4R)-2-(4-hydroxybutoxy)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide?
(2R,4R)-2-(4-hydroxybutoxy)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-(4-hydroxybutoxy)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 23975630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).