N-[(4-fluorophenyl)methyl]-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide

C22H22FNO2S — CID 19484549

IUPACN-[(4-fluorophenyl)methyl]-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide
SMILESCC(C)c1ccc(OCc2csc(C(=O)NCc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C22H22FNO2S/c1-15(2)18-5-9-20(10-6-18)26-13-17-11-21(27-14-17)22(25)24-12-16-3-7-19(23)8-4-16/h3-11,14-15H,12-13H2,1-2H3,(H,24,25)
InChIKeyPGJGVVVPUWCHHZ-UHFFFAOYSA-N
MW383.49 g/mol
LogP5.52
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide

N-[(4-fluorophenyl)methyl]-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19484549) has the molecular formula C22H22FNO2S and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide
PubChem CID19484549
Molecular FormulaC22H22FNO2S
Molecular Weight383.49 g/mol
Exact Mass383.14
IUPAC NameN-[(4-fluorophenyl)methyl]-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide
SMILESCC(C)c1ccc(OCc2csc(C(=O)NCc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C22H22FNO2S/c1-15(2)18-5-9-20(10-6-18)26-13-17-11-21(27-14-17)22(25)24-12-16-3-7-19(23)8-4-16/h3-11,14-15H,12-13H2,1-2H3,(H,24,25)
InChIKeyPGJGVVVPUWCHHZ-UHFFFAOYSA-N
XLogP5.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.49
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469568
N-(3,4-difluorophenyl)-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide
CID 19484567
4-[(2,4-dimethylphenoxy)methyl]-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
CID 19483513
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469562
N-[(4-propan-2-ylphenyl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107027298
N-(3,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469372
N-ethyl-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471527
4-[(4-fluorophenoxy)methyl]-N-phenylthiophene-2-carboxamide
CID 19469454
N-(3-chloro-4-methoxyphenyl)-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide
CID 19484551
N-(2-methoxy-5-methylphenyl)-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide
CID 19484576
N-(2,5-dimethylphenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469482
N-(2,5-difluorophenyl)-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471460

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide (CID 19484549) is N-[(4-fluorophenyl)methyl]-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide is CC(C)c1ccc(OCc2csc(C(=O)NCc3ccc(F)cc3)c2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is PGJGVVVPUWCHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO2S/c1-15(2)18-5-9-20(10-6-18)26-13-17-11-21(27-14-17)22(25)24-12-16-3-7-19(23)8-4-16/h3-11,14-15H,12-13H2,1-2H3,(H,24,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide?
N-[(4-fluorophenyl)methyl]-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 5.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19484549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).