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

C21H21NO2S — CID 19505455

IUPAC4-[(3,5-dimethylphenoxy)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide
SMILESCc1cccc(NC(=O)c2cc(COc3cc(C)cc(C)c3)cs2)c1
InChIInChI=1S/C21H21NO2S/c1-14-5-4-6-18(8-14)22-21(23)20-11-17(13-25-20)12-24-19-9-15(2)7-16(3)10-19/h4-11,13H,12H2,1-3H3,(H,22,23)
InChIKeyWXAYIDQXYQDANA-UHFFFAOYSA-N
MW351.47 g/mol
LogP5.50
Rot. Bonds5

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

4-[(3,5-dimethylphenoxy)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide (PubChem CID 19505455) has the molecular formula C21H21NO2S and a molecular weight of 351.47 g/mol. Its IUPAC name is 4-[(3,5-dimethylphenoxy)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(3,5-dimethylphenoxy)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide
PubChem CID19505455
Molecular FormulaC21H21NO2S
Molecular Weight351.47 g/mol
Exact Mass351.13
IUPAC Name4-[(3,5-dimethylphenoxy)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide
SMILESCc1cccc(NC(=O)c2cc(COc3cc(C)cc(C)c3)cs2)c1
InChIInChI=1S/C21H21NO2S/c1-14-5-4-6-18(8-14)22-21(23)20-11-17(13-25-20)12-24-19-9-15(2)7-16(3)10-19/h4-11,13H,12H2,1-3H3,(H,22,23)
InChIKeyWXAYIDQXYQDANA-UHFFFAOYSA-N
XLogP5.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.47
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-methylphenoxy)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide
CID 19491150
4-[(3,5-dimethylphenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 19505415
N-(3,4-difluorophenyl)-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19491098
N-(3-chloro-4-methylphenyl)-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19491160
N-(3,5-dichlorophenyl)-4-[(3,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19505356
4-[(3,5-dimethylphenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
CID 19505478
4-[(3,5-dimethylphenoxy)methyl]-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 19505471
N-(3,5-dimethylphenyl)-4-[(2-ethoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19486859
N-(3,4-dimethylphenyl)-4-(phenoxymethyl)thiophene-2-carboxamide
CID 19490848
N-(1-benzylpyrazol-4-yl)-4-[(3,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19505434
4-[(2,6-dimethylphenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 19486975
4-[(2,6-dimethylphenoxy)methyl]-N-phenylthiophene-2-carboxamide
CID 19486991

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylphenoxy)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of 4-[(3,5-dimethylphenoxy)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide (CID 19505455) is 4-[(3,5-dimethylphenoxy)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[(3,5-dimethylphenoxy)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 4-[(3,5-dimethylphenoxy)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide is Cc1cccc(NC(=O)c2cc(COc3cc(C)cc(C)c3)cs2)c1.
What is the InChIKey of 4-[(3,5-dimethylphenoxy)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide?
The InChIKey is WXAYIDQXYQDANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2S/c1-14-5-4-6-18(8-14)22-21(23)20-11-17(13-25-20)12-24-19-9-15(2)7-16(3)10-19/h4-11,13H,12H2,1-3H3,(H,22,23).
What are the key properties of 4-[(3,5-dimethylphenoxy)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide?
4-[(3,5-dimethylphenoxy)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide has a molecular weight of 351.47 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylphenoxy)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 19505455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).