N-(2,5-dimethylphenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide

C20H18FNO2S — CID 19469482

IUPACN-(2,5-dimethylphenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cc(COc3ccc(F)cc3)cs2)c1
InChIInChI=1S/C20H18FNO2S/c1-13-3-4-14(2)18(9-13)22-20(23)19-10-15(12-25-19)11-24-17-7-5-16(21)6-8-17/h3-10,12H,11H2,1-2H3,(H,22,23)
InChIKeySTEYJHPIWGOYKY-UHFFFAOYSA-N
MW355.43 g/mol
LogP5.34
Rot. Bonds5

About N-(2,5-dimethylphenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide

N-(2,5-dimethylphenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19469482) has the molecular formula C20H18FNO2S and a molecular weight of 355.43 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
PubChem CID19469482
Molecular FormulaC20H18FNO2S
Molecular Weight355.43 g/mol
Exact Mass355.10
IUPAC NameN-(2,5-dimethylphenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cc(COc3ccc(F)cc3)cs2)c1
InChIInChI=1S/C20H18FNO2S/c1-13-3-4-14(2)18(9-13)22-20(23)19-10-15(12-25-19)11-24-17-7-5-16(21)6-8-17/h3-10,12H,11H2,1-2H3,(H,22,23)
InChIKeySTEYJHPIWGOYKY-UHFFFAOYSA-N
XLogP5.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.43
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469374
N-(2,5-dimethylphenyl)-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19501205
N-(2,3-dimethylphenyl)-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19492883
4-[(2,4-dimethylphenoxy)methyl]-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide
CID 19483536
4-[(4-fluorophenoxy)methyl]-N-phenylthiophene-2-carboxamide
CID 19469454
N-(2,5-difluorophenyl)-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471460
N-ethyl-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469568
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2-fluoro-5-methylphenyl)thiophene-2-carboxamide
CID 19484860
4-[(4-chlorophenoxy)methyl]-N-[2-(difluoromethoxy)-5-methylphenyl]thiophene-2-carboxamide
CID 19503392
4-[(4-fluorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 19469491
N-(3,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469372
N-(2-methoxy-5-methylphenyl)-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide
CID 19484576

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide (CID 19469482) is N-(2,5-dimethylphenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide is Cc1ccc(C)c(NC(=O)c2cc(COc3ccc(F)cc3)cs2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is STEYJHPIWGOYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO2S/c1-13-3-4-14(2)18(9-13)22-20(23)19-10-15(12-25-19)11-24-17-7-5-16(21)6-8-17/h3-10,12H,11H2,1-2H3,(H,22,23).
What are the key properties of N-(2,5-dimethylphenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide?
N-(2,5-dimethylphenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 355.43 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19469482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).