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

C20H23NO6S — CID 6672244

IUPAC(2R,4R)-2-[2-(2-hydroxyethoxy)ethoxy]-N-(2-hydroxyphenyl)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(Nc1ccccc1O)C1=C[C@H](c2cccs2)C[C@H](OCCOCCO)O1
InChIInChI=1S/C20H23NO6S/c22-7-8-25-9-10-26-19-13-14(18-6-3-11-28-18)12-17(27-19)20(24)21-15-4-1-2-5-16(15)23/h1-6,11-12,14,19,22-23H,7-10,13H2,(H,21,24)/t14-,19+/m0/s1
InChIKeyXMFOLMSSLFDBSU-IFXJQAMLSA-N
MW405.47 g/mol
LogP2.83
Rot. Bonds9

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

(2R,4R)-2-[2-(2-hydroxyethoxy)ethoxy]-N-(2-hydroxyphenyl)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 6672244) has the molecular formula C20H23NO6S and a molecular weight of 405.47 g/mol. Its IUPAC name is (2R,4R)-2-[2-(2-hydroxyethoxy)ethoxy]-N-(2-hydroxyphenyl)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name(2R,4R)-2-[2-(2-hydroxyethoxy)ethoxy]-N-(2-hydroxyphenyl)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID6672244
Molecular FormulaC20H23NO6S
Molecular Weight405.47 g/mol
Exact Mass405.12
IUPAC Name(2R,4R)-2-[2-(2-hydroxyethoxy)ethoxy]-N-(2-hydroxyphenyl)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(Nc1ccccc1O)C1=C[C@H](c2cccs2)C[C@H](OCCOCCO)O1
InChIInChI=1S/C20H23NO6S/c22-7-8-25-9-10-26-19-13-14(18-6-3-11-28-18)12-17(27-19)20(24)21-15-4-1-2-5-16(15)23/h1-6,11-12,14,19,22-23H,7-10,13H2,(H,21,24)/t14-,19+/m0/s1
InChIKeyXMFOLMSSLFDBSU-IFXJQAMLSA-N
XLogP2.83
TPSA97.25 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-[2-(2-hydroxyethoxy)ethoxy]-N-(2-hydroxyphenyl)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of (2R,4R)-2-[2-(2-hydroxyethoxy)ethoxy]-N-(2-hydroxyphenyl)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide (CID 6672244) is (2R,4R)-2-[2-(2-hydroxyethoxy)ethoxy]-N-(2-hydroxyphenyl)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for (2R,4R)-2-[2-(2-hydroxyethoxy)ethoxy]-N-(2-hydroxyphenyl)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for (2R,4R)-2-[2-(2-hydroxyethoxy)ethoxy]-N-(2-hydroxyphenyl)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide is O=C(Nc1ccccc1O)C1=C[C@H](c2cccs2)C[C@H](OCCOCCO)O1.
What is the InChIKey of (2R,4R)-2-[2-(2-hydroxyethoxy)ethoxy]-N-(2-hydroxyphenyl)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is XMFOLMSSLFDBSU-IFXJQAMLSA-N. The full InChI is InChI=1S/C20H23NO6S/c22-7-8-25-9-10-26-19-13-14(18-6-3-11-28-18)12-17(27-19)20(24)21-15-4-1-2-5-16(15)23/h1-6,11-12,14,19,22-23H,7-10,13H2,(H,21,24)/t14-,19+/m0/s1.
What are the key properties of (2R,4R)-2-[2-(2-hydroxyethoxy)ethoxy]-N-(2-hydroxyphenyl)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
(2R,4R)-2-[2-(2-hydroxyethoxy)ethoxy]-N-(2-hydroxyphenyl)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 405.47 g/mol, XLogP of 2.83, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-[2-(2-hydroxyethoxy)ethoxy]-N-(2-hydroxyphenyl)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 6672244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).