4-[(3,5-dimethylphenoxy)methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide

C17H21NO3S — CID 19505532

IUPAC4-[(3,5-dimethylphenoxy)methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
SMILESCOCCNC(=O)c1cc(COc2cc(C)cc(C)c2)cs1
InChIInChI=1S/C17H21NO3S/c1-12-6-13(2)8-15(7-12)21-10-14-9-16(22-11-14)17(19)18-4-5-20-3/h6-9,11H,4-5,10H2,1-3H3,(H,18,19)
InChIKeyWEQJUPADHZOBHC-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.32
Rot. Bonds7

About 4-[(3,5-dimethylphenoxy)methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide

4-[(3,5-dimethylphenoxy)methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide (PubChem CID 19505532) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 4-[(3,5-dimethylphenoxy)methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(3,5-dimethylphenoxy)methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
PubChem CID19505532
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC Name4-[(3,5-dimethylphenoxy)methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
SMILESCOCCNC(=O)c1cc(COc2cc(C)cc(C)c2)cs1
InChIInChI=1S/C17H21NO3S/c1-12-6-13(2)8-15(7-12)21-10-14-9-16(22-11-14)17(19)18-4-5-20-3/h6-9,11H,4-5,10H2,1-3H3,(H,18,19)
InChIKeyWEQJUPADHZOBHC-UHFFFAOYSA-N
XLogP3.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(2,6-dimethylphenoxy)methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 19488686
N-(3,5-dichlorophenyl)-4-[(3,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19505356
N-butyl-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19491241
4-[(3,5-dimethylphenoxy)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide
CID 19505455
4-[(3,5-dimethylphenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 19505415
4-[(3,5-dimethylphenoxy)methyl]-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 19505471
5-[(3,5-dimethylphenoxy)methyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 19463380
N-[2-(3,5-dimethylphenoxy)ethyl]thiophene-2-carboxamide
CID 30865920
4-[(3,5-dimethylphenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)thiophene-2-carboxamide
CID 19505427
N-ethyl-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471527
4-[(3,5-dimethylphenoxy)methyl]-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19444413
N-butyl-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471741

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylphenoxy)methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide?
The IUPAC name of 4-[(3,5-dimethylphenoxy)methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide (CID 19505532) is 4-[(3,5-dimethylphenoxy)methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[(3,5-dimethylphenoxy)methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide?
The canonical SMILES for 4-[(3,5-dimethylphenoxy)methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide is COCCNC(=O)c1cc(COc2cc(C)cc(C)c2)cs1.
What is the InChIKey of 4-[(3,5-dimethylphenoxy)methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide?
The InChIKey is WEQJUPADHZOBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-12-6-13(2)8-15(7-12)21-10-14-9-16(22-11-14)17(19)18-4-5-20-3/h6-9,11H,4-5,10H2,1-3H3,(H,18,19).
What are the key properties of 4-[(3,5-dimethylphenoxy)methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide?
4-[(3,5-dimethylphenoxy)methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylphenoxy)methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide is sourced from PubChem (CID 19505532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).