2-[2-(2-hydroxyethoxy)ethoxy]-N-(2-methoxyethyl)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide

C17H25NO6S — CID 4649119

IUPAC2-[2-(2-hydroxyethoxy)ethoxy]-N-(2-methoxyethyl)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCOCCNC(=O)C1=CC(c2ccsc2)CC(OCCOCCO)O1
InChIInChI=1S/C17H25NO6S/c1-21-5-3-18-17(20)15-10-14(13-2-9-25-12-13)11-16(24-15)23-8-7-22-6-4-19/h2,9-10,12,14,16,19H,3-8,11H2,1H3,(H,18,20)
InChIKeyDLVGWDGIOKUHMM-UHFFFAOYSA-N
MW371.46 g/mol
LogP1.25
Rot. Bonds11

About 2-[2-(2-hydroxyethoxy)ethoxy]-N-(2-methoxyethyl)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide

2-[2-(2-hydroxyethoxy)ethoxy]-N-(2-methoxyethyl)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 4649119) has the molecular formula C17H25NO6S and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethoxy]-N-(2-methoxyethyl)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethoxy]-N-(2-methoxyethyl)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID4649119
Molecular FormulaC17H25NO6S
Molecular Weight371.46 g/mol
Exact Mass371.14
IUPAC Name2-[2-(2-hydroxyethoxy)ethoxy]-N-(2-methoxyethyl)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCOCCNC(=O)C1=CC(c2ccsc2)CC(OCCOCCO)O1
InChIInChI=1S/C17H25NO6S/c1-21-5-3-18-17(20)15-10-14(13-2-9-25-12-13)11-16(24-15)23-8-7-22-6-4-19/h2,9-10,12,14,16,19H,3-8,11H2,1H3,(H,18,20)
InChIKeyDLVGWDGIOKUHMM-UHFFFAOYSA-N
XLogP1.25
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 2-[2-(2-hydroxyethoxy)ethoxy]-N-(2-methoxyethyl)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]-N-(2-methoxyethyl)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide (CID 4649119) is 2-[2-(2-hydroxyethoxy)ethoxy]-N-(2-methoxyethyl)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethoxy]-N-(2-methoxyethyl)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethoxy]-N-(2-methoxyethyl)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide is COCCNC(=O)C1=CC(c2ccsc2)CC(OCCOCCO)O1.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethoxy]-N-(2-methoxyethyl)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is DLVGWDGIOKUHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO6S/c1-21-5-3-18-17(20)15-10-14(13-2-9-25-12-13)11-16(24-15)23-8-7-22-6-4-19/h2,9-10,12,14,16,19H,3-8,11H2,1H3,(H,18,20).
What are the key properties of 2-[2-(2-hydroxyethoxy)ethoxy]-N-(2-methoxyethyl)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide?
2-[2-(2-hydroxyethoxy)ethoxy]-N-(2-methoxyethyl)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 1.25, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethoxy]-N-(2-methoxyethyl)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 4649119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).