N-[3-benzyl-4-(difluoromethoxy)phenyl]thiophene-2-carboxamide

C19H15F2NO2S — CID 18228128

IUPACN-[3-benzyl-4-(difluoromethoxy)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)c1cccs1
InChIInChI=1S/C19H15F2NO2S/c20-19(21)24-16-9-8-15(22-18(23)17-7-4-10-25-17)12-14(16)11-13-5-2-1-3-6-13/h1-10,12,19H,11H2,(H,22,23)
InChIKeyQZAWATMJKBELOM-UHFFFAOYSA-N
MW359.40 g/mol
LogP5.19
Rot. Bonds6

About N-[3-benzyl-4-(difluoromethoxy)phenyl]thiophene-2-carboxamide

N-[3-benzyl-4-(difluoromethoxy)phenyl]thiophene-2-carboxamide (PubChem CID 18228128) has the molecular formula C19H15F2NO2S and a molecular weight of 359.40 g/mol. Its IUPAC name is N-[3-benzyl-4-(difluoromethoxy)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-benzyl-4-(difluoromethoxy)phenyl]thiophene-2-carboxamide
PubChem CID18228128
Molecular FormulaC19H15F2NO2S
Molecular Weight359.40 g/mol
Exact Mass359.08
IUPAC NameN-[3-benzyl-4-(difluoromethoxy)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)c1cccs1
InChIInChI=1S/C19H15F2NO2S/c20-19(21)24-16-9-8-15(22-18(23)17-7-4-10-25-17)12-14(16)11-13-5-2-1-3-6-13/h1-10,12,19H,11H2,(H,22,23)
InChIKeyQZAWATMJKBELOM-UHFFFAOYSA-N
XLogP5.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.40
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-benzyl-4-(difluoromethoxy)phenyl]-1-methylpyrrole-2-carboxamide
CID 55447606
N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-methylsulfonylbenzamide
CID 24624799
N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)acetamide
CID 18288051
N-[3-benzyl-4-(difluoromethoxy)phenyl]-4-[(carbamoylamino)methyl]benzamide
CID 24533543
N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 55607654
N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 24525173
N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 18274238
N-[3-benzyl-4-(difluoromethoxy)phenyl]-5-chloro-1,3-dimethylpyrazole-4-carboxamide
CID 24612450
2-benzyl-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide
CID 55539818
N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide
CID 157146269
N-[3-benzyl-4-(difluoromethoxy)phenyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 24533546
5-acetamido-N-(3-benzyl-4-methoxyphenyl)thiophene-2-carboxamide
CID 24575094

Frequently Asked Questions

What is the IUPAC name of N-[3-benzyl-4-(difluoromethoxy)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-benzyl-4-(difluoromethoxy)phenyl]thiophene-2-carboxamide (CID 18228128) is N-[3-benzyl-4-(difluoromethoxy)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-benzyl-4-(difluoromethoxy)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-benzyl-4-(difluoromethoxy)phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)c1cccs1.
What is the InChIKey of N-[3-benzyl-4-(difluoromethoxy)phenyl]thiophene-2-carboxamide?
The InChIKey is QZAWATMJKBELOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO2S/c20-19(21)24-16-9-8-15(22-18(23)17-7-4-10-25-17)12-14(16)11-13-5-2-1-3-6-13/h1-10,12,19H,11H2,(H,22,23).
What are the key properties of N-[3-benzyl-4-(difluoromethoxy)phenyl]thiophene-2-carboxamide?
N-[3-benzyl-4-(difluoromethoxy)phenyl]thiophene-2-carboxamide has a molecular weight of 359.40 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-benzyl-4-(difluoromethoxy)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 18228128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).