4-fluoro-3-(methoxymethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-benzothiophene-2-carboxamide

C18H18FNO3S — CID 31151636

IUPAC4-fluoro-3-(methoxymethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-benzothiophene-2-carboxamide
SMILESCOCc1c(C(=O)N(C)Cc2ccc(C)o2)sc2cccc(F)c12
InChIInChI=1S/C18H18FNO3S/c1-11-7-8-12(23-11)9-20(2)18(21)17-13(10-22-3)16-14(19)5-4-6-15(16)24-17/h4-8H,9-10H2,1-3H3
InChIKeyQYADHBLTHNCAKP-UHFFFAOYSA-N
MW347.41 g/mol
LogP4.36
Rot. Bonds5

About 4-fluoro-3-(methoxymethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-benzothiophene-2-carboxamide

4-fluoro-3-(methoxymethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-benzothiophene-2-carboxamide (PubChem CID 31151636) has the molecular formula C18H18FNO3S and a molecular weight of 347.41 g/mol. Its IUPAC name is 4-fluoro-3-(methoxymethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-3-(methoxymethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-benzothiophene-2-carboxamide
PubChem CID31151636
Molecular FormulaC18H18FNO3S
Molecular Weight347.41 g/mol
Exact Mass347.10
IUPAC Name4-fluoro-3-(methoxymethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-benzothiophene-2-carboxamide
SMILESCOCc1c(C(=O)N(C)Cc2ccc(C)o2)sc2cccc(F)c12
InChIInChI=1S/C18H18FNO3S/c1-11-7-8-12(23-11)9-20(2)18(21)17-13(10-22-3)16-14(19)5-4-6-15(16)24-17/h4-8H,9-10H2,1-3H3
InChIKeyQYADHBLTHNCAKP-UHFFFAOYSA-N
XLogP4.36
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethylphenyl)methyl]-4-fluoro-3-(methoxymethyl)-N-methyl-1-benzothiophene-2-carboxamide
CID 31235182
N-(1,3-benzothiazol-2-ylmethyl)-4-fluoro-3-(methoxymethyl)-N-methyl-1-benzothiophene-2-carboxamide
CID 24549964
N-(2,6-dimethylphenyl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 16562791
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 134052686
4-(methoxymethyl)-N,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 56871396
(2-methylphenyl)methyl 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylate
CID 7736124
propan-2-yl 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylate
CID 55475379
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-fluoro-3-(methoxymethyl)-N-methyl-1-benzothiophene-2-carboxamide
CID 24543827
N-(2-amino-2-methylpropyl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 119626513
2-[cyclopropyl-[4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carbonyl]amino]propanoic acid
CID 119202587
azetidin-1-yl-[4-fluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]methanone
CID 134015607
N-(2-ethyl-6-methylphenyl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 7668040

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(methoxymethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-3-(methoxymethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-benzothiophene-2-carboxamide (CID 31151636) is 4-fluoro-3-(methoxymethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-3-(methoxymethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-3-(methoxymethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-benzothiophene-2-carboxamide is COCc1c(C(=O)N(C)Cc2ccc(C)o2)sc2cccc(F)c12.
What is the InChIKey of 4-fluoro-3-(methoxymethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-benzothiophene-2-carboxamide?
The InChIKey is QYADHBLTHNCAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3S/c1-11-7-8-12(23-11)9-20(2)18(21)17-13(10-22-3)16-14(19)5-4-6-15(16)24-17/h4-8H,9-10H2,1-3H3.
What are the key properties of 4-fluoro-3-(methoxymethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-benzothiophene-2-carboxamide?
4-fluoro-3-(methoxymethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-benzothiophene-2-carboxamide has a molecular weight of 347.41 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(methoxymethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 31151636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).