N-(4-acetylphenyl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide

C20H16FNO3S — CID 19493180

IUPACN-(4-acetylphenyl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(COc3cccc(F)c3)cs2)cc1
InChIInChI=1S/C20H16FNO3S/c1-13(23)15-5-7-17(8-6-15)22-20(24)19-9-14(12-26-19)11-25-18-4-2-3-16(21)10-18/h2-10,12H,11H2,1H3,(H,22,24)
InChIKeyNNQUDYOYXHIORW-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.92
Rot. Bonds6

About N-(4-acetylphenyl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide

N-(4-acetylphenyl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19493180) has the molecular formula C20H16FNO3S and a molecular weight of 369.42 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide
PubChem CID19493180
Molecular FormulaC20H16FNO3S
Molecular Weight369.42 g/mol
Exact Mass369.08
IUPAC NameN-(4-acetylphenyl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(COc3cccc(F)c3)cs2)cc1
InChIInChI=1S/C20H16FNO3S/c1-13(23)15-5-7-17(8-6-15)22-20(24)19-9-14(12-26-19)11-25-18-4-2-3-16(21)10-18/h2-10,12H,11H2,1H3,(H,22,24)
InChIKeyNNQUDYOYXHIORW-UHFFFAOYSA-N
XLogP4.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-4-[(3-chlorophenoxy)methyl]thiophene-2-carboxamide
CID 19505153
N-(3-chlorophenyl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19493225
N-(4-acetylphenyl)-4-[(4-chlorophenoxy)methyl]thiophene-2-carboxamide
CID 19503301
N-(3,4-difluorophenyl)-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19491098
4-[(3-fluorophenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide
CID 19493237
N-(4-acetylphenyl)-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19501156
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19493313
4-[(4-fluorophenoxy)methyl]-N-phenylthiophene-2-carboxamide
CID 19469454
4-[(3-methylphenoxy)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide
CID 19491150
N-(3-fluoro-4-methylphenyl)-4-(phenoxymethyl)thiophene-2-carboxamide
CID 19490853
N-(3-chloro-4-fluorophenyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19500907
4-[(3-fluorophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 19493164

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide (CID 19493180) is N-(4-acetylphenyl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide is CC(=O)c1ccc(NC(=O)c2cc(COc3cccc(F)c3)cs2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is NNQUDYOYXHIORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO3S/c1-13(23)15-5-7-17(8-6-15)22-20(24)19-9-14(12-26-19)11-25-18-4-2-3-16(21)10-18/h2-10,12H,11H2,1H3,(H,22,24).
What are the key properties of N-(4-acetylphenyl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide?
N-(4-acetylphenyl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19493180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).