2-(4-fluorophenyl)-5-(methoxymethyl)-1-benzothiophene-3-carboxamide

C17H14FNO2S — CID 90722021

IUPAC2-(4-fluorophenyl)-5-(methoxymethyl)-1-benzothiophene-3-carboxamide
SMILESCOCc1ccc2sc(-c3ccc(F)cc3)c(C(N)=O)c2c1
InChIInChI=1S/C17H14FNO2S/c1-21-9-10-2-7-14-13(8-10)15(17(19)20)16(22-14)11-3-5-12(18)6-4-11/h2-8H,9H2,1H3,(H2,19,20)
InChIKeyIUZPZQBYUIBFBO-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.95
Rot. Bonds4

About 2-(4-fluorophenyl)-5-(methoxymethyl)-1-benzothiophene-3-carboxamide

2-(4-fluorophenyl)-5-(methoxymethyl)-1-benzothiophene-3-carboxamide (PubChem CID 90722021) has the molecular formula C17H14FNO2S and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-(methoxymethyl)-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-(methoxymethyl)-1-benzothiophene-3-carboxamide
PubChem CID90722021
Molecular FormulaC17H14FNO2S
Molecular Weight315.37 g/mol
Exact Mass315.07
IUPAC Name2-(4-fluorophenyl)-5-(methoxymethyl)-1-benzothiophene-3-carboxamide
SMILESCOCc1ccc2sc(-c3ccc(F)cc3)c(C(N)=O)c2c1
InChIInChI=1S/C17H14FNO2S/c1-21-9-10-2-7-14-13(8-10)15(17(19)20)16(22-14)11-3-5-12(18)6-4-11/h2-8H,9H2,1H3,(H2,19,20)
InChIKeyIUZPZQBYUIBFBO-UHFFFAOYSA-N
XLogP3.95
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-5-methoxy-1-benzothiophene-3-carboxylic acid;methyl 2-(4-fluorophenyl)-5-methoxy-1-benzothiophene-3-carboxylate
CID 158092809
methyl 5-methoxy-2-(4-methoxyphenyl)-1-benzothiophene-3-carboxylate
CID 25058323
benzyl 5-hydroxy-2-phenyl-1-benzothiophene-3-carboxylate
CID 146428102
N'-(4-fluorobenzoyl)-4-(methoxymethyl)benzohydrazide
CID 8573769
[4-(methoxymethyl)phenyl]methyl carbamate
CID 175563517
5-(4-fluorophenyl)-4-(4-methoxyphenyl)-3-methylthiophene-2-carboxamide
CID 57302374
N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)benzamide
CID 7603190
methyl 2-(methoxymethyl)-5-methyl-1-benzothiophene-3-carboxylate
CID 126592526
4-[4-[4-(methoxymethyl)phenyl]anilino]thieno[2,3-c]pyridine-2-carboxamide
CID 76852973
1-(4-fluorophenyl)-3-[3-(methoxymethyl)phenoxy]propan-2-one
CID 63985981
methyl (E)-3-[4-[[2-(4-fluorophenyl)-6-hydroxy-1-benzothiophen-3-yl]oxy]phenyl]prop-2-enoate
CID 78324256
(4-fluorophenyl)methyl acetate
CID 14793785

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-(methoxymethyl)-1-benzothiophene-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-5-(methoxymethyl)-1-benzothiophene-3-carboxamide (CID 90722021) is 2-(4-fluorophenyl)-5-(methoxymethyl)-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-5-(methoxymethyl)-1-benzothiophene-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-5-(methoxymethyl)-1-benzothiophene-3-carboxamide is COCc1ccc2sc(-c3ccc(F)cc3)c(C(N)=O)c2c1.
What is the InChIKey of 2-(4-fluorophenyl)-5-(methoxymethyl)-1-benzothiophene-3-carboxamide?
The InChIKey is IUZPZQBYUIBFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2S/c1-21-9-10-2-7-14-13(8-10)15(17(19)20)16(22-14)11-3-5-12(18)6-4-11/h2-8H,9H2,1H3,(H2,19,20).
What are the key properties of 2-(4-fluorophenyl)-5-(methoxymethyl)-1-benzothiophene-3-carboxamide?
2-(4-fluorophenyl)-5-(methoxymethyl)-1-benzothiophene-3-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-(methoxymethyl)-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 90722021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).