N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-benzothiophene-3-carboxamide

C18H16FNO2S — CID 112836896

IUPACN-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-benzothiophene-3-carboxamide
SMILESCOc1ccc(F)cc1C(C)NC(=O)c1csc2ccccc12
InChIInChI=1S/C18H16FNO2S/c1-11(14-9-12(19)7-8-16(14)22-2)20-18(21)15-10-23-17-6-4-3-5-13(15)17/h3-11H,1-2H3,(H,20,21)
InChIKeyCIRTZMJFOFATQW-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.54
Rot. Bonds4

About N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-benzothiophene-3-carboxamide

N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-benzothiophene-3-carboxamide (PubChem CID 112836896) has the molecular formula C18H16FNO2S and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-benzothiophene-3-carboxamide
PubChem CID112836896
Molecular FormulaC18H16FNO2S
Molecular Weight329.40 g/mol
Exact Mass329.09
IUPAC NameN-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-benzothiophene-3-carboxamide
SMILESCOc1ccc(F)cc1C(C)NC(=O)c1csc2ccccc12
InChIInChI=1S/C18H16FNO2S/c1-11(14-9-12(19)7-8-16(14)22-2)20-18(21)15-10-23-17-6-4-3-5-13(15)17/h3-11H,1-2H3,(H,20,21)
InChIKeyCIRTZMJFOFATQW-UHFFFAOYSA-N
XLogP4.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]benzamide
CID 60794579
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]benzamide
CID 60794723
2-chloro-4-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 26883056
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-hydroxy-4-methoxybenzamide
CID 112836868
2-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]acetamide
CID 43701037
6-fluoro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 115497321
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-1,3,4-thiadiazole-2-carboxamide
CID 75449989
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-iodobenzamide
CID 60794861
N-[1-(2,4-difluorophenyl)ethyl]-2,3,4-trimethoxybenzamide
CID 51150413
(2S)-2-(1-benzothiophene-3-carbonylamino)-3-methylbutanoic acid
CID 55012835
2-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-phenylpropanamide;hydrochloride
CID 120589076
(2R)-2-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119292617

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-benzothiophene-3-carboxamide?
The IUPAC name of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-benzothiophene-3-carboxamide (CID 112836896) is N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-benzothiophene-3-carboxamide is COc1ccc(F)cc1C(C)NC(=O)c1csc2ccccc12.
What is the InChIKey of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-benzothiophene-3-carboxamide?
The InChIKey is CIRTZMJFOFATQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO2S/c1-11(14-9-12(19)7-8-16(14)22-2)20-18(21)15-10-23-17-6-4-3-5-13(15)17/h3-11H,1-2H3,(H,20,21).
What are the key properties of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-benzothiophene-3-carboxamide?
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-benzothiophene-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 112836896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).