N-(2,5-difluorophenyl)-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide

C20H17F2NO2S — CID 19471460

IUPACN-(2,5-difluorophenyl)-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide
SMILESCCc1ccc(OCc2csc(C(=O)Nc3cc(F)ccc3F)c2)cc1
InChIInChI=1S/C20H17F2NO2S/c1-2-13-3-6-16(7-4-13)25-11-14-9-19(26-12-14)20(24)23-18-10-15(21)5-8-17(18)22/h3-10,12H,2,11H2,1H3,(H,23,24)
InChIKeyGJDIESVTOUVWOK-UHFFFAOYSA-N
MW373.42 g/mol
LogP5.42
Rot. Bonds6

About N-(2,5-difluorophenyl)-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide

N-(2,5-difluorophenyl)-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19471460) has the molecular formula C20H17F2NO2S and a molecular weight of 373.42 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide
PubChem CID19471460
Molecular FormulaC20H17F2NO2S
Molecular Weight373.42 g/mol
Exact Mass373.09
IUPAC NameN-(2,5-difluorophenyl)-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide
SMILESCCc1ccc(OCc2csc(C(=O)Nc3cc(F)ccc3F)c2)cc1
InChIInChI=1S/C20H17F2NO2S/c1-2-13-3-6-16(7-4-13)25-11-14-9-19(26-12-14)20(24)23-18-10-15(21)5-8-17(18)22/h3-10,12H,2,11H2,1H3,(H,23,24)
InChIKeyGJDIESVTOUVWOK-UHFFFAOYSA-N
XLogP5.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.42
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471527
N-(2,5-dimethylphenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469482
N-ethyl-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469568
N-(2,3-dimethylphenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469374
N-(3,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469372
N-(2,5-difluorophenyl)-4-[(2-nitrophenoxy)methyl]thiophene-2-carboxamide
CID 19501025
4-[(4-fluorophenoxy)methyl]-N-phenylthiophene-2-carboxamide
CID 19469454
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2-fluoro-5-methylphenyl)thiophene-2-carboxamide
CID 19484860
N-(2-benzoyl-4-chlorophenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469408
N-(3,4-difluorophenyl)-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide
CID 19484567
N-[(4-fluorophenyl)methyl]-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide
CID 19484549
4-[(4-chlorophenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 19503307

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-(2,5-difluorophenyl)-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide (CID 19471460) is N-(2,5-difluorophenyl)-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(2,5-difluorophenyl)-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide is CCc1ccc(OCc2csc(C(=O)Nc3cc(F)ccc3F)c2)cc1.
What is the InChIKey of N-(2,5-difluorophenyl)-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is GJDIESVTOUVWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NO2S/c1-2-13-3-6-16(7-4-13)25-11-14-9-19(26-12-14)20(24)23-18-10-15(21)5-8-17(18)22/h3-10,12H,2,11H2,1H3,(H,23,24).
What are the key properties of N-(2,5-difluorophenyl)-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide?
N-(2,5-difluorophenyl)-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19471460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).