4-fluoro-3-(methoxymethyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzothiophene-2-carboxamide

C16H16FN3O3S — CID 95151988

IUPAC4-fluoro-3-(methoxymethyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzothiophene-2-carboxamide
SMILESCOCc1c(C(=O)N[C@@H](C)c2nc(C)no2)sc2cccc(F)c12
InChIInChI=1S/C16H16FN3O3S/c1-8(16-19-9(2)20-23-16)18-15(21)14-10(7-22-3)13-11(17)5-4-6-12(13)24-14/h4-6,8H,7H2,1-3H3,(H,18,21)/t8-/m0/s1
InChIKeyYFDRUEUWHQLCJY-QMMMGPOBSA-N
MW349.39 g/mol
LogP3.37
Rot. Bonds5

About 4-fluoro-3-(methoxymethyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzothiophene-2-carboxamide

4-fluoro-3-(methoxymethyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzothiophene-2-carboxamide (PubChem CID 95151988) has the molecular formula C16H16FN3O3S and a molecular weight of 349.39 g/mol. Its IUPAC name is 4-fluoro-3-(methoxymethyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-3-(methoxymethyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzothiophene-2-carboxamide
PubChem CID95151988
Molecular FormulaC16H16FN3O3S
Molecular Weight349.39 g/mol
Exact Mass349.09
IUPAC Name4-fluoro-3-(methoxymethyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzothiophene-2-carboxamide
SMILESCOCc1c(C(=O)N[C@@H](C)c2nc(C)no2)sc2cccc(F)c12
InChIInChI=1S/C16H16FN3O3S/c1-8(16-19-9(2)20-23-16)18-15(21)14-10(7-22-3)13-11(17)5-4-6-12(13)24-14/h4-6,8H,7H2,1-3H3,(H,18,21)/t8-/m0/s1
InChIKeyYFDRUEUWHQLCJY-QMMMGPOBSA-N
XLogP3.37
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(methoxymethyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-3-(methoxymethyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzothiophene-2-carboxamide (CID 95151988) is 4-fluoro-3-(methoxymethyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-3-(methoxymethyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-3-(methoxymethyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzothiophene-2-carboxamide is COCc1c(C(=O)N[C@@H](C)c2nc(C)no2)sc2cccc(F)c12.
What is the InChIKey of 4-fluoro-3-(methoxymethyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is YFDRUEUWHQLCJY-QMMMGPOBSA-N. The full InChI is InChI=1S/C16H16FN3O3S/c1-8(16-19-9(2)20-23-16)18-15(21)14-10(7-22-3)13-11(17)5-4-6-12(13)24-14/h4-6,8H,7H2,1-3H3,(H,18,21)/t8-/m0/s1.
What are the key properties of 4-fluoro-3-(methoxymethyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzothiophene-2-carboxamide?
4-fluoro-3-(methoxymethyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(methoxymethyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 95151988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).