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

C22H23NO2S — CID 19505471

IUPAC4-[(3,5-dimethylphenoxy)methyl]-N-(2-ethylphenyl)thiophene-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(COc2cc(C)cc(C)c2)cs1
InChIInChI=1S/C22H23NO2S/c1-4-18-7-5-6-8-20(18)23-22(24)21-12-17(14-26-21)13-25-19-10-15(2)9-16(3)11-19/h5-12,14H,4,13H2,1-3H3,(H,23,24)
InChIKeyDNVAVKPUFHJPOX-UHFFFAOYSA-N
MW365.50 g/mol
LogP5.76
Rot. Bonds6

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

4-[(3,5-dimethylphenoxy)methyl]-N-(2-ethylphenyl)thiophene-2-carboxamide (PubChem CID 19505471) has the molecular formula C22H23NO2S and a molecular weight of 365.50 g/mol. Its IUPAC name is 4-[(3,5-dimethylphenoxy)methyl]-N-(2-ethylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(3,5-dimethylphenoxy)methyl]-N-(2-ethylphenyl)thiophene-2-carboxamide
PubChem CID19505471
Molecular FormulaC22H23NO2S
Molecular Weight365.50 g/mol
Exact Mass365.14
IUPAC Name4-[(3,5-dimethylphenoxy)methyl]-N-(2-ethylphenyl)thiophene-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(COc2cc(C)cc(C)c2)cs1
InChIInChI=1S/C22H23NO2S/c1-4-18-7-5-6-8-20(18)23-22(24)21-12-17(14-26-21)13-25-19-10-15(2)9-16(3)11-19/h5-12,14H,4,13H2,1-3H3,(H,23,24)
InChIKeyDNVAVKPUFHJPOX-UHFFFAOYSA-N
XLogP5.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.50
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19498796
4-[(3-chlorophenoxy)methyl]-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 19505218
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 19486493
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-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-carboxamide
CID 19505520
N-(3,5-dichlorophenyl)-4-[(3,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19505356
N-(2,3-dimethylphenyl)-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19492883
N-(3,5-dimethylphenyl)-4-[(2-ethoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19486859
4-[(3,5-dimethylphenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)thiophene-2-carboxamide
CID 19505427
4-[(3-methylphenoxy)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide
CID 19491150
4-[(3,5-dimethylphenoxy)methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 19505532

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylphenoxy)methyl]-N-(2-ethylphenyl)thiophene-2-carboxamide?
The IUPAC name of 4-[(3,5-dimethylphenoxy)methyl]-N-(2-ethylphenyl)thiophene-2-carboxamide (CID 19505471) is 4-[(3,5-dimethylphenoxy)methyl]-N-(2-ethylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[(3,5-dimethylphenoxy)methyl]-N-(2-ethylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 4-[(3,5-dimethylphenoxy)methyl]-N-(2-ethylphenyl)thiophene-2-carboxamide is CCc1ccccc1NC(=O)c1cc(COc2cc(C)cc(C)c2)cs1.
What is the InChIKey of 4-[(3,5-dimethylphenoxy)methyl]-N-(2-ethylphenyl)thiophene-2-carboxamide?
The InChIKey is DNVAVKPUFHJPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2S/c1-4-18-7-5-6-8-20(18)23-22(24)21-12-17(14-26-21)13-25-19-10-15(2)9-16(3)11-19/h5-12,14H,4,13H2,1-3H3,(H,23,24).
What are the key properties of 4-[(3,5-dimethylphenoxy)methyl]-N-(2-ethylphenyl)thiophene-2-carboxamide?
4-[(3,5-dimethylphenoxy)methyl]-N-(2-ethylphenyl)thiophene-2-carboxamide has a molecular weight of 365.50 g/mol, XLogP of 5.76, 6 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-(2-ethylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 19505471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).