N-[1-(4-tert-butylphenyl)ethyl]-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide

C24H26FNO2S — CID 19493248

IUPACN-[1-(4-tert-butylphenyl)ethyl]-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cc(COc2cccc(F)c2)cs1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H26FNO2S/c1-16(18-8-10-19(11-9-18)24(2,3)4)26-23(27)22-12-17(15-29-22)14-28-21-7-5-6-20(25)13-21/h5-13,15-16H,14H2,1-4H3,(H,26,27)
InChIKeyNWCDFQOKWGEBQZ-UHFFFAOYSA-N
MW411.54 g/mol
LogP6.25
Rot. Bonds6

About N-[1-(4-tert-butylphenyl)ethyl]-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide

N-[1-(4-tert-butylphenyl)ethyl]-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19493248) has the molecular formula C24H26FNO2S and a molecular weight of 411.54 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)ethyl]-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)ethyl]-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide
PubChem CID19493248
Molecular FormulaC24H26FNO2S
Molecular Weight411.54 g/mol
Exact Mass411.17
IUPAC NameN-[1-(4-tert-butylphenyl)ethyl]-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cc(COc2cccc(F)c2)cs1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H26FNO2S/c1-16(18-8-10-19(11-9-18)24(2,3)4)26-23(27)22-12-17(15-29-22)14-28-21-7-5-6-20(25)13-21/h5-13,15-16H,14H2,1-4H3,(H,26,27)
InChIKeyNWCDFQOKWGEBQZ-UHFFFAOYSA-N
XLogP6.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.54
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-chlorophenoxy)methyl]-N-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-carboxamide
CID 19505193
4-[(3-methoxyphenoxy)methyl]-N-(1-phenylethyl)thiophene-2-carboxamide
CID 19500919
N-[1-(4-tert-butylphenyl)ethyl]-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492614
4-[(3-fluorophenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide
CID 19493237
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(1-phenylethyl)thiophene-2-carboxamide
CID 19484847
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19493138
N-(4-acetylphenyl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19493180
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 19486463
N-(3-chlorophenyl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19493225
4-[(3-fluorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)thiophene-2-carboxamide
CID 19493303
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19493313
N-[1-(4-methoxyphenyl)ethyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19501186

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide (CID 19493248) is N-[1-(4-tert-butylphenyl)ethyl]-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)ethyl]-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(4-tert-butylphenyl)ethyl]-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide is CC(NC(=O)c1cc(COc2cccc(F)c2)cs1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[1-(4-tert-butylphenyl)ethyl]-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is NWCDFQOKWGEBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FNO2S/c1-16(18-8-10-19(11-9-18)24(2,3)4)26-23(27)22-12-17(15-29-22)14-28-21-7-5-6-20(25)13-21/h5-13,15-16H,14H2,1-4H3,(H,26,27).
What are the key properties of N-[1-(4-tert-butylphenyl)ethyl]-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide?
N-[1-(4-tert-butylphenyl)ethyl]-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 411.54 g/mol, XLogP of 6.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)ethyl]-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19493248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).