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

C21H20FNO2S — CID 19483536

IUPAC4-[(2,4-dimethylphenoxy)methyl]-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(OCc2csc(C(=O)Nc3ccc(F)cc3C)c2)c(C)c1
InChIInChI=1S/C21H20FNO2S/c1-13-4-7-19(15(3)8-13)25-11-16-10-20(26-12-16)21(24)23-18-6-5-17(22)9-14(18)2/h4-10,12H,11H2,1-3H3,(H,23,24)
InChIKeyVPFLKJBPUZELRJ-UHFFFAOYSA-N
MW369.46 g/mol
LogP5.64
Rot. Bonds5

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

4-[(2,4-dimethylphenoxy)methyl]-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide (PubChem CID 19483536) has the molecular formula C21H20FNO2S and a molecular weight of 369.46 g/mol. Its IUPAC name is 4-[(2,4-dimethylphenoxy)methyl]-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(2,4-dimethylphenoxy)methyl]-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide
PubChem CID19483536
Molecular FormulaC21H20FNO2S
Molecular Weight369.46 g/mol
Exact Mass369.12
IUPAC Name4-[(2,4-dimethylphenoxy)methyl]-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(OCc2csc(C(=O)Nc3ccc(F)cc3C)c2)c(C)c1
InChIInChI=1S/C21H20FNO2S/c1-13-4-7-19(15(3)8-13)25-11-16-10-20(26-12-16)21(24)23-18-6-5-17(22)9-14(18)2/h4-10,12H,11H2,1-3H3,(H,23,24)
InChIKeyVPFLKJBPUZELRJ-UHFFFAOYSA-N
XLogP5.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.46
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19501342
4-[(2,4-dimethylphenoxy)methyl]-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
CID 19483513
N-(4-fluoro-2-methylphenyl)-4-[(2-nitrophenoxy)methyl]thiophene-2-carboxamide
CID 19501024
4-[(2,6-dimethylphenoxy)methyl]-N-(2,4-dimethylphenyl)thiophene-2-carboxamide
CID 19486917
N-(4-acetamidophenyl)-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19483514
N-(2,5-dimethylphenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469482
4-[(2,4-dimethylphenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 19483664
N-[2-(difluoromethoxy)-5-methylphenyl]-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19498820
N-[2-(difluoromethoxy)-4-fluorophenyl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19490756
4-[(2,4-difluorophenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide
CID 19469618
4-[(2,4-dimethylphenoxy)methyl]-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 19483492
N-[2-(difluoromethoxy)-4-methylphenyl]-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19495087

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dimethylphenoxy)methyl]-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of 4-[(2,4-dimethylphenoxy)methyl]-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide (CID 19483536) is 4-[(2,4-dimethylphenoxy)methyl]-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[(2,4-dimethylphenoxy)methyl]-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 4-[(2,4-dimethylphenoxy)methyl]-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide is Cc1ccc(OCc2csc(C(=O)Nc3ccc(F)cc3C)c2)c(C)c1.
What is the InChIKey of 4-[(2,4-dimethylphenoxy)methyl]-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide?
The InChIKey is VPFLKJBPUZELRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO2S/c1-13-4-7-19(15(3)8-13)25-11-16-10-20(26-12-16)21(24)23-18-6-5-17(22)9-14(18)2/h4-10,12H,11H2,1-3H3,(H,23,24).
What are the key properties of 4-[(2,4-dimethylphenoxy)methyl]-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide?
4-[(2,4-dimethylphenoxy)methyl]-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide has a molecular weight of 369.46 g/mol, XLogP of 5.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dimethylphenoxy)methyl]-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 19483536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).