N-(3,4-difluorophenyl)-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide

C21H19F2NO2S — CID 19484567

IUPACN-(3,4-difluorophenyl)-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide
SMILESCC(C)c1ccc(OCc2csc(C(=O)Nc3ccc(F)c(F)c3)c2)cc1
InChIInChI=1S/C21H19F2NO2S/c1-13(2)15-3-6-17(7-4-15)26-11-14-9-20(27-12-14)21(25)24-16-5-8-18(22)19(23)10-16/h3-10,12-13H,11H2,1-2H3,(H,24,25)
InChIKeyGUBQETXTGDLOHK-UHFFFAOYSA-N
MW387.45 g/mol
LogP5.98
Rot. Bonds6

About N-(3,4-difluorophenyl)-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide

N-(3,4-difluorophenyl)-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19484567) has the molecular formula C21H19F2NO2S and a molecular weight of 387.45 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide
PubChem CID19484567
Molecular FormulaC21H19F2NO2S
Molecular Weight387.45 g/mol
Exact Mass387.11
IUPAC NameN-(3,4-difluorophenyl)-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide
SMILESCC(C)c1ccc(OCc2csc(C(=O)Nc3ccc(F)c(F)c3)c2)cc1
InChIInChI=1S/C21H19F2NO2S/c1-13(2)15-3-6-17(7-4-15)26-11-14-9-20(27-12-14)21(25)24-16-5-8-18(22)19(23)10-16/h3-10,12-13H,11H2,1-2H3,(H,24,25)
InChIKeyGUBQETXTGDLOHK-UHFFFAOYSA-N
XLogP5.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.45
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide
CID 19484551
N-(3,4-difluorophenyl)-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19491098
N-[(4-fluorophenyl)methyl]-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide
CID 19484549
N-(3-fluoro-4-methylphenyl)-4-(phenoxymethyl)thiophene-2-carboxamide
CID 19490853
N-(4-acetylphenyl)-4-[(4-chlorophenoxy)methyl]thiophene-2-carboxamide
CID 19503301
N-(3,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469372
4-[(4-chlorophenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 19503307
N-(2-methoxy-5-methylphenyl)-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide
CID 19484576
N-(3-chloro-4-fluorophenyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19500907
4-[(4-fluorophenoxy)methyl]-N-phenylthiophene-2-carboxamide
CID 19469454
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19493011
4-[(4-chlorophenoxy)methyl]-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 19503366

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide (CID 19484567) is N-(3,4-difluorophenyl)-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide is CC(C)c1ccc(OCc2csc(C(=O)Nc3ccc(F)c(F)c3)c2)cc1.
What is the InChIKey of N-(3,4-difluorophenyl)-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is GUBQETXTGDLOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2NO2S/c1-13(2)15-3-6-17(7-4-15)26-11-14-9-20(27-12-14)21(25)24-16-5-8-18(22)19(23)10-16/h3-10,12-13H,11H2,1-2H3,(H,24,25).
What are the key properties of N-(3,4-difluorophenyl)-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide?
N-(3,4-difluorophenyl)-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 387.45 g/mol, XLogP of 5.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19484567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).