4-fluoro-3-(methoxymethyl)-N-propyl-1-benzothiophene-2-carboxamide

C14H16FNO2S — CID 24536437

IUPAC4-fluoro-3-(methoxymethyl)-N-propyl-1-benzothiophene-2-carboxamide
SMILESCCCNC(=O)c1sc2cccc(F)c2c1COC
InChIInChI=1S/C14H16FNO2S/c1-3-7-16-14(17)13-9(8-18-2)12-10(15)5-4-6-11(12)19-13/h4-6H,3,7-8H2,1-2H3,(H,16,17)
InChIKeyYADWTZNBRMHSNA-UHFFFAOYSA-N
MW281.35 g/mol
LogP3.33
Rot. Bonds5

About 4-fluoro-3-(methoxymethyl)-N-propyl-1-benzothiophene-2-carboxamide

4-fluoro-3-(methoxymethyl)-N-propyl-1-benzothiophene-2-carboxamide (PubChem CID 24536437) has the molecular formula C14H16FNO2S and a molecular weight of 281.35 g/mol. Its IUPAC name is 4-fluoro-3-(methoxymethyl)-N-propyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-3-(methoxymethyl)-N-propyl-1-benzothiophene-2-carboxamide
PubChem CID24536437
Molecular FormulaC14H16FNO2S
Molecular Weight281.35 g/mol
Exact Mass281.09
IUPAC Name4-fluoro-3-(methoxymethyl)-N-propyl-1-benzothiophene-2-carboxamide
SMILESCCCNC(=O)c1sc2cccc(F)c2c1COC
InChIInChI=1S/C14H16FNO2S/c1-3-7-16-14(17)13-9(8-18-2)12-10(15)5-4-6-11(12)19-13/h4-6H,3,7-8H2,1-2H3,(H,16,17)
InChIKeyYADWTZNBRMHSNA-UHFFFAOYSA-N
XLogP3.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 16326347
[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 4005411
5-acetyl-N-[3-(1-phenylethoxy)propyl]thiophene-2-carboxamide
CID 42942737
N-(4-amino-4-oxobutyl)-5-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 47367142
5-fluoro-3-methyl-N-[3-oxo-3-(propylamino)propyl]-1-benzothiophene-2-carboxamide
CID 51091491
4-fluoro-N~2~-isopropyl-3-methoxy-1-benzothiophene-2-carboxamide
CID 53014201
5-Fluoro-3-methoxy-N-(propan-2-YL)-1-benzothiophene-2-carboxamide
CID 53014207
Methyl 4-fluoro-3-[(oxolane-2-carbonylamino)methyl]-1-benzothiophene-2-carboxylate
CID 53615776
Methyl 3-[(cyclopropanecarbonylamino)methyl]-4-fluoro-1-benzothiophene-2-carboxylate
CID 56783089
Methyl 4-fluoro-3-[(oxolane-3-carbonylamino)methyl]-1-benzothiophene-2-carboxylate
CID 56783090
N-[2-Methoxy-2-(5-methylthiophen-2-YL)ethyl]-2-(trifluoromethyl)benzamide
CID 71810358
N-[2-(2-Fluorophenyl)-2-methoxypropyl]thiophene-3-carboxamide
CID 71810601

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(methoxymethyl)-N-propyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-3-(methoxymethyl)-N-propyl-1-benzothiophene-2-carboxamide (CID 24536437) is 4-fluoro-3-(methoxymethyl)-N-propyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-3-(methoxymethyl)-N-propyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-3-(methoxymethyl)-N-propyl-1-benzothiophene-2-carboxamide is CCCNC(=O)c1sc2cccc(F)c2c1COC.
What is the InChIKey of 4-fluoro-3-(methoxymethyl)-N-propyl-1-benzothiophene-2-carboxamide?
The InChIKey is YADWTZNBRMHSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2S/c1-3-7-16-14(17)13-9(8-18-2)12-10(15)5-4-6-11(12)19-13/h4-6H,3,7-8H2,1-2H3,(H,16,17).
What are the key properties of 4-fluoro-3-(methoxymethyl)-N-propyl-1-benzothiophene-2-carboxamide?
4-fluoro-3-(methoxymethyl)-N-propyl-1-benzothiophene-2-carboxamide has a molecular weight of 281.35 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(methoxymethyl)-N-propyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 24536437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).