(2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-methoxyethyl)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide

C21H25NO5S — CID 23930749

IUPAC(2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-methoxyethyl)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCOCCNC(=O)C1=C[C@H](c2cccs2)C[C@H](OCc2ccc(CO)cc2)O1
InChIInChI=1S/C21H25NO5S/c1-25-9-8-22-21(24)18-11-17(19-3-2-10-28-19)12-20(27-18)26-14-16-6-4-15(13-23)5-7-16/h2-7,10-11,17,20,23H,8-9,12-14H2,1H3,(H,22,24)/t17-,20+/m0/s1
InChIKeyMXDWKKNHASAOIC-FXAWDEMLSA-N
MW403.50 g/mol
LogP2.93
Rot. Bonds9

About (2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-methoxyethyl)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide

(2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-methoxyethyl)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 23930749) has the molecular formula C21H25NO5S and a molecular weight of 403.50 g/mol. Its IUPAC name is (2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-methoxyethyl)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name(2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-methoxyethyl)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID23930749
Molecular FormulaC21H25NO5S
Molecular Weight403.50 g/mol
Exact Mass403.15
IUPAC Name(2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-methoxyethyl)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCOCCNC(=O)C1=C[C@H](c2cccs2)C[C@H](OCc2ccc(CO)cc2)O1
InChIInChI=1S/C21H25NO5S/c1-25-9-8-22-21(24)18-11-17(19-3-2-10-28-19)12-20(27-18)26-14-16-6-4-15(13-23)5-7-16/h2-7,10-11,17,20,23H,8-9,12-14H2,1H3,(H,22,24)/t17-,20+/m0/s1
InChIKeyMXDWKKNHASAOIC-FXAWDEMLSA-N
XLogP2.93
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-methoxyethyl)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

((2S,4S)-4-(benzo[b]thiophen-3-yl)-2-(4-(hydroxymethyl)benzyloxy)-3,4-dihydro-2H-pyran-6-yl)(morpholino)methanone
CID 16195725
(2R,4R)-4-(1-benzothiophen-3-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-prop-2-ynyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 16197029
(2S,4S)-4-(1-benzothiophen-3-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-prop-2-ynyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 16197091
(2S,4S)-4-(1-benzothiophen-3-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(phenylmethyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 16197109
((2R,4R)-4-(benzo[b]thiophen-3-yl)-2-(4-(hydroxymethyl)benzyloxy)-3,4-dihydro-2H-pyran-6-yl)(morpholino)methanone
CID 16195815
(2S,4S)-4-(1-benzothiophen-3-yl)-N-cyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide
CID 16197112
(2R,4R)-4-(1-benzothiophen-3-yl)-N-benzyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide
CID 16745406
(2R,4R)-4-(1-benzothiophen-3-yl)-N-cyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide
CID 16745409
N-[(4-fluorophenyl)methyl]-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide
CID 3664720
(2R,4R)-N-[(4-fluorophenyl)methyl]-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide
CID 6669917
(2S,4S)-N-[(4-fluorophenyl)methyl]-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide
CID 6670530
(2S,4S)-N-[2-(4-fluorophenyl)ethyl]-2-(4-hydroxybutoxy)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
CID 6672084

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-methoxyethyl)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of (2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-methoxyethyl)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide (CID 23930749) is (2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-methoxyethyl)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for (2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-methoxyethyl)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for (2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-methoxyethyl)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide is COCCNC(=O)C1=C[C@H](c2cccs2)C[C@H](OCc2ccc(CO)cc2)O1.
What is the InChIKey of (2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-methoxyethyl)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is MXDWKKNHASAOIC-FXAWDEMLSA-N. The full InChI is InChI=1S/C21H25NO5S/c1-25-9-8-22-21(24)18-11-17(19-3-2-10-28-19)12-20(27-18)26-14-16-6-4-15(13-23)5-7-16/h2-7,10-11,17,20,23H,8-9,12-14H2,1H3,(H,22,24)/t17-,20+/m0/s1.
What are the key properties of (2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-methoxyethyl)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
(2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-methoxyethyl)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 403.50 g/mol, XLogP of 2.93, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-methoxyethyl)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 23930749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).