3-[(2-formyl-3-hydroxyphenoxy)methyl]-N,N-dimethylthiophene-2-carboxamide

C15H15NO4S — CID 86298339

IUPAC3-[(2-formyl-3-hydroxyphenoxy)methyl]-N,N-dimethylthiophene-2-carboxamide
SMILESCN(C)C(=O)c1sccc1COc1cccc(O)c1C=O
InChIInChI=1S/C15H15NO4S/c1-16(2)15(19)14-10(6-7-21-14)9-20-13-5-3-4-12(18)11(13)8-17/h3-8,18H,9H2,1-2H3
InChIKeyFOBSXJZIWKNKLD-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.55
Rot. Bonds5

About 3-[(2-formyl-3-hydroxyphenoxy)methyl]-N,N-dimethylthiophene-2-carboxamide

3-[(2-formyl-3-hydroxyphenoxy)methyl]-N,N-dimethylthiophene-2-carboxamide (PubChem CID 86298339) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is 3-[(2-formyl-3-hydroxyphenoxy)methyl]-N,N-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(2-formyl-3-hydroxyphenoxy)methyl]-N,N-dimethylthiophene-2-carboxamide
PubChem CID86298339
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name3-[(2-formyl-3-hydroxyphenoxy)methyl]-N,N-dimethylthiophene-2-carboxamide
SMILESCN(C)C(=O)c1sccc1COc1cccc(O)c1C=O
InChIInChI=1S/C15H15NO4S/c1-16(2)15(19)14-10(6-7-21-14)9-20-13-5-3-4-12(18)11(13)8-17/h3-8,18H,9H2,1-2H3
InChIKeyFOBSXJZIWKNKLD-UHFFFAOYSA-N
XLogP2.55
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-formyl-3-hydroxyphenoxy)methyl]-N,N-dimethylthiophene-2-carboxamide?
The IUPAC name of 3-[(2-formyl-3-hydroxyphenoxy)methyl]-N,N-dimethylthiophene-2-carboxamide (CID 86298339) is 3-[(2-formyl-3-hydroxyphenoxy)methyl]-N,N-dimethylthiophene-2-carboxamide.
What is the SMILES notation for 3-[(2-formyl-3-hydroxyphenoxy)methyl]-N,N-dimethylthiophene-2-carboxamide?
The canonical SMILES for 3-[(2-formyl-3-hydroxyphenoxy)methyl]-N,N-dimethylthiophene-2-carboxamide is CN(C)C(=O)c1sccc1COc1cccc(O)c1C=O.
What is the InChIKey of 3-[(2-formyl-3-hydroxyphenoxy)methyl]-N,N-dimethylthiophene-2-carboxamide?
The InChIKey is FOBSXJZIWKNKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-16(2)15(19)14-10(6-7-21-14)9-20-13-5-3-4-12(18)11(13)8-17/h3-8,18H,9H2,1-2H3.
What are the key properties of 3-[(2-formyl-3-hydroxyphenoxy)methyl]-N,N-dimethylthiophene-2-carboxamide?
3-[(2-formyl-3-hydroxyphenoxy)methyl]-N,N-dimethylthiophene-2-carboxamide has a molecular weight of 305.36 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-formyl-3-hydroxyphenoxy)methyl]-N,N-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 86298339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).