4-[(2,6-dimethylphenoxy)methyl]-N-phenylthiophene-2-carboxamide

C20H19NO2S — CID 19486991

IUPAC4-[(2,6-dimethylphenoxy)methyl]-N-phenylthiophene-2-carboxamide
SMILESCc1cccc(C)c1OCc1csc(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C20H19NO2S/c1-14-7-6-8-15(2)19(14)23-12-16-11-18(24-13-16)20(22)21-17-9-4-3-5-10-17/h3-11,13H,12H2,1-2H3,(H,21,22)
InChIKeyWUZXPFKFNAPKBO-UHFFFAOYSA-N
MW337.44 g/mol
LogP5.20
Rot. Bonds5

About 4-[(2,6-dimethylphenoxy)methyl]-N-phenylthiophene-2-carboxamide

4-[(2,6-dimethylphenoxy)methyl]-N-phenylthiophene-2-carboxamide (PubChem CID 19486991) has the molecular formula C20H19NO2S and a molecular weight of 337.44 g/mol. Its IUPAC name is 4-[(2,6-dimethylphenoxy)methyl]-N-phenylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(2,6-dimethylphenoxy)methyl]-N-phenylthiophene-2-carboxamide
PubChem CID19486991
Molecular FormulaC20H19NO2S
Molecular Weight337.44 g/mol
Exact Mass337.11
IUPAC Name4-[(2,6-dimethylphenoxy)methyl]-N-phenylthiophene-2-carboxamide
SMILESCc1cccc(C)c1OCc1csc(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C20H19NO2S/c1-14-7-6-8-15(2)19(14)23-12-16-11-18(24-13-16)20(22)21-17-9-4-3-5-10-17/h3-11,13H,12H2,1-2H3,(H,21,22)
InChIKeyWUZXPFKFNAPKBO-UHFFFAOYSA-N
XLogP5.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.44
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,6-dimethylphenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 19486975
4-[(2,3-dimethylphenoxy)methyl]-N-phenylthiophene-2-carboxamide
CID 19495261
4-[(2,6-dimethylphenoxy)methyl]-N-ethylthiophene-2-carboxamide
CID 19488699
4-[(2,6-dimethylphenoxy)methyl]-N-(2,4-dimethylphenyl)thiophene-2-carboxamide
CID 19486917
4-[(2,6-dimethylphenoxy)methyl]-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide
CID 19486926
4-[(2,6-dimethylphenoxy)methyl]-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-carboxamide
CID 19488732
4-[(2,6-dimethylphenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 19488696
4-[(2,6-dimethylphenoxy)methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 19488686
N-[3-(trifluoromethyl)phenyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19501110
N-(4-acetylphenyl)-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19501156
N-(3,4-dimethylphenyl)-4-(phenoxymethyl)thiophene-2-carboxamide
CID 19490848
N-(4-methoxyphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19498782

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylphenoxy)methyl]-N-phenylthiophene-2-carboxamide?
The IUPAC name of 4-[(2,6-dimethylphenoxy)methyl]-N-phenylthiophene-2-carboxamide (CID 19486991) is 4-[(2,6-dimethylphenoxy)methyl]-N-phenylthiophene-2-carboxamide.
What is the SMILES notation for 4-[(2,6-dimethylphenoxy)methyl]-N-phenylthiophene-2-carboxamide?
The canonical SMILES for 4-[(2,6-dimethylphenoxy)methyl]-N-phenylthiophene-2-carboxamide is Cc1cccc(C)c1OCc1csc(C(=O)Nc2ccccc2)c1.
What is the InChIKey of 4-[(2,6-dimethylphenoxy)methyl]-N-phenylthiophene-2-carboxamide?
The InChIKey is WUZXPFKFNAPKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2S/c1-14-7-6-8-15(2)19(14)23-12-16-11-18(24-13-16)20(22)21-17-9-4-3-5-10-17/h3-11,13H,12H2,1-2H3,(H,21,22).
What are the key properties of 4-[(2,6-dimethylphenoxy)methyl]-N-phenylthiophene-2-carboxamide?
4-[(2,6-dimethylphenoxy)methyl]-N-phenylthiophene-2-carboxamide has a molecular weight of 337.44 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylphenoxy)methyl]-N-phenylthiophene-2-carboxamide is sourced from PubChem (CID 19486991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).