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

C15H18FNO2S — CID 17392868

IUPAC4-fluoro-3-(methoxymethyl)-N-(2-methylpropyl)-1-benzothiophene-2-carboxamide
SMILESCOCc1c(C(=O)NCC(C)C)sc2cccc(F)c12
InChIInChI=1S/C15H18FNO2S/c1-9(2)7-17-15(18)14-10(8-19-3)13-11(16)5-4-6-12(13)20-14/h4-6,9H,7-8H2,1-3H3,(H,17,18)
InChIKeyUJCWDQPWUGSWGC-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.57
Rot. Bonds5

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

4-fluoro-3-(methoxymethyl)-N-(2-methylpropyl)-1-benzothiophene-2-carboxamide (PubChem CID 17392868) has the molecular formula C15H18FNO2S and a molecular weight of 295.38 g/mol. Its IUPAC name is 4-fluoro-3-(methoxymethyl)-N-(2-methylpropyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-3-(methoxymethyl)-N-(2-methylpropyl)-1-benzothiophene-2-carboxamide
PubChem CID17392868
Molecular FormulaC15H18FNO2S
Molecular Weight295.38 g/mol
Exact Mass295.10
IUPAC Name4-fluoro-3-(methoxymethyl)-N-(2-methylpropyl)-1-benzothiophene-2-carboxamide
SMILESCOCc1c(C(=O)NCC(C)C)sc2cccc(F)c12
InChIInChI=1S/C15H18FNO2S/c1-9(2)7-17-15(18)14-10(8-19-3)13-11(16)5-4-6-12(13)20-14/h4-6,9H,7-8H2,1-3H3,(H,17,18)
InChIKeyUJCWDQPWUGSWGC-UHFFFAOYSA-N
XLogP3.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(methoxymethyl)-N-(2-methylpropyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-3-(methoxymethyl)-N-(2-methylpropyl)-1-benzothiophene-2-carboxamide (CID 17392868) is 4-fluoro-3-(methoxymethyl)-N-(2-methylpropyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-3-(methoxymethyl)-N-(2-methylpropyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-3-(methoxymethyl)-N-(2-methylpropyl)-1-benzothiophene-2-carboxamide is COCc1c(C(=O)NCC(C)C)sc2cccc(F)c12.
What is the InChIKey of 4-fluoro-3-(methoxymethyl)-N-(2-methylpropyl)-1-benzothiophene-2-carboxamide?
The InChIKey is UJCWDQPWUGSWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2S/c1-9(2)7-17-15(18)14-10(8-19-3)13-11(16)5-4-6-12(13)20-14/h4-6,9H,7-8H2,1-3H3,(H,17,18).
What are the key properties of 4-fluoro-3-(methoxymethyl)-N-(2-methylpropyl)-1-benzothiophene-2-carboxamide?
4-fluoro-3-(methoxymethyl)-N-(2-methylpropyl)-1-benzothiophene-2-carboxamide has a molecular weight of 295.38 g/mol, XLogP of 3.57, 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-(2-methylpropyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 17392868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).