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

C21H20FNO2S — CID 19483513

IUPAC4-[(2,4-dimethylphenoxy)methyl]-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
SMILESCc1ccc(OCc2csc(C(=O)NCc3ccc(F)cc3)c2)c(C)c1
InChIInChI=1S/C21H20FNO2S/c1-14-3-8-19(15(2)9-14)25-12-17-10-20(26-13-17)21(24)23-11-16-4-6-18(22)7-5-16/h3-10,13H,11-12H2,1-2H3,(H,23,24)
InChIKeyDOQQQXAHQYZMQK-UHFFFAOYSA-N
MW369.46 g/mol
LogP5.01
Rot. Bonds6

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

4-[(2,4-dimethylphenoxy)methyl]-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide (PubChem CID 19483513) 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-fluorophenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(2,4-dimethylphenoxy)methyl]-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
PubChem CID19483513
Molecular FormulaC21H20FNO2S
Molecular Weight369.46 g/mol
Exact Mass369.12
IUPAC Name4-[(2,4-dimethylphenoxy)methyl]-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
SMILESCc1ccc(OCc2csc(C(=O)NCc3ccc(F)cc3)c2)c(C)c1
InChIInChI=1S/C21H20FNO2S/c1-14-3-8-19(15(2)9-14)25-12-17-10-20(26-13-17)21(24)23-11-16-4-6-18(22)7-5-16/h3-10,13H,11-12H2,1-2H3,(H,23,24)
InChIKeyDOQQQXAHQYZMQK-UHFFFAOYSA-N
XLogP5.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.46
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,4-dimethylphenoxy)methyl]-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide
CID 19483536
N-(4-acetamidophenyl)-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19483514
N-[(4-fluorophenyl)methyl]-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide
CID 19484549
N-(2,4-dimethylphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19501342
N-(1-adamantyl)-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19483510
N-(2,5-dimethylphenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469482
4-[(2,4-dimethylphenoxy)methyl]-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 19483492
N-butyl-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471741
N-ethyl-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469568
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19483618
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7814070
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19483503

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dimethylphenoxy)methyl]-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 4-[(2,4-dimethylphenoxy)methyl]-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide (CID 19483513) is 4-[(2,4-dimethylphenoxy)methyl]-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-[(2,4-dimethylphenoxy)methyl]-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 4-[(2,4-dimethylphenoxy)methyl]-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide is Cc1ccc(OCc2csc(C(=O)NCc3ccc(F)cc3)c2)c(C)c1.
What is the InChIKey of 4-[(2,4-dimethylphenoxy)methyl]-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide?
The InChIKey is DOQQQXAHQYZMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO2S/c1-14-3-8-19(15(2)9-14)25-12-17-10-20(26-13-17)21(24)23-11-16-4-6-18(22)7-5-16/h3-10,13H,11-12H2,1-2H3,(H,23,24).
What are the key properties of 4-[(2,4-dimethylphenoxy)methyl]-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide?
4-[(2,4-dimethylphenoxy)methyl]-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide has a molecular weight of 369.46 g/mol, XLogP of 5.01, 6 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-fluorophenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19483513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).