N-[2-[5-(7-fluoro-1-benzothiophen-3-yl)-1-methylimidazol-2-yl]-2-oxoethyl]-3,4-dimethoxybenzamide

C23H20FN3O4S — CID 90061989

IUPACN-[2-[5-(7-fluoro-1-benzothiophen-3-yl)-1-methylimidazol-2-yl]-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)c2ncc(-c3csc4c(F)cccc34)n2C)cc1OC
InChIInChI=1S/C23H20FN3O4S/c1-27-17(15-12-32-21-14(15)5-4-6-16(21)24)10-25-22(27)18(28)11-26-23(29)13-7-8-19(30-2)20(9-13)31-3/h4-10,12H,11H2,1-3H3,(H,26,29)
InChIKeyLTZOXNOAZWORFJ-UHFFFAOYSA-N
MW453.50 g/mol
LogP4.07
Rot. Bonds7

About N-[2-[5-(7-fluoro-1-benzothiophen-3-yl)-1-methylimidazol-2-yl]-2-oxoethyl]-3,4-dimethoxybenzamide

N-[2-[5-(7-fluoro-1-benzothiophen-3-yl)-1-methylimidazol-2-yl]-2-oxoethyl]-3,4-dimethoxybenzamide (PubChem CID 90061989) has the molecular formula C23H20FN3O4S and a molecular weight of 453.50 g/mol. Its IUPAC name is N-[2-[5-(7-fluoro-1-benzothiophen-3-yl)-1-methylimidazol-2-yl]-2-oxoethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[5-(7-fluoro-1-benzothiophen-3-yl)-1-methylimidazol-2-yl]-2-oxoethyl]-3,4-dimethoxybenzamide
PubChem CID90061989
Molecular FormulaC23H20FN3O4S
Molecular Weight453.50 g/mol
Exact Mass453.12
IUPAC NameN-[2-[5-(7-fluoro-1-benzothiophen-3-yl)-1-methylimidazol-2-yl]-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)c2ncc(-c3csc4c(F)cccc34)n2C)cc1OC
InChIInChI=1S/C23H20FN3O4S/c1-27-17(15-12-32-21-14(15)5-4-6-16(21)24)10-25-22(27)18(28)11-26-23(29)13-7-8-19(30-2)20(9-13)31-3/h4-10,12H,11H2,1-3H3,(H,26,29)
InChIKeyLTZOXNOAZWORFJ-UHFFFAOYSA-N
XLogP4.07
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[5-(7-fluoro-1-benzothiophen-3-yl)-1H-imidazol-2-yl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 90061668
N-[2-[4-(7-fluoro-1-benzothiophen-3-yl)-6-methoxypyrimidin-2-yl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 90061739
N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(Z)-prop-1-enyl]-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 90061637
N-[2-[1-(7-fluoro-1-benzothiophen-3-yl)pyrazol-3-yl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 90062034
ethanol;N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 144580179
N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide
CID 90061607
N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-fluoro-2-methoxyethoxy)-3-methoxybenzamide
CID 90062036
N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-5-(trifluoromethoxy)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 90061911
N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-5-(methoxymethyl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 90061983
N-[2-[4-(7-fluoro-1-benzothiophen-3-yl)-1,3-oxazol-2-yl]-2-hydroxyethyl]-3,4-dimethoxybenzamide
CID 90062262
N-[2-[5-(7-fluoro-1-benzothiophen-3-yl)-6-oxocyclohexa-1,4-dien-1-yl]-2-oxoethyl]-3-methoxy-4-methylbenzamide
CID 163898505
N-[2-[(2Z)-2-[1-(7-fluoro-1-benzothiophen-3-yl)-3-methoxypropylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;N-[2-[(2E)-2-[1-(7-fluoro-1-benzothiophen-3-yl)-3-methoxypropylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 144580060

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(7-fluoro-1-benzothiophen-3-yl)-1-methylimidazol-2-yl]-2-oxoethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-[5-(7-fluoro-1-benzothiophen-3-yl)-1-methylimidazol-2-yl]-2-oxoethyl]-3,4-dimethoxybenzamide (CID 90061989) is N-[2-[5-(7-fluoro-1-benzothiophen-3-yl)-1-methylimidazol-2-yl]-2-oxoethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-[5-(7-fluoro-1-benzothiophen-3-yl)-1-methylimidazol-2-yl]-2-oxoethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-[5-(7-fluoro-1-benzothiophen-3-yl)-1-methylimidazol-2-yl]-2-oxoethyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCC(=O)c2ncc(-c3csc4c(F)cccc34)n2C)cc1OC.
What is the InChIKey of N-[2-[5-(7-fluoro-1-benzothiophen-3-yl)-1-methylimidazol-2-yl]-2-oxoethyl]-3,4-dimethoxybenzamide?
The InChIKey is LTZOXNOAZWORFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O4S/c1-27-17(15-12-32-21-14(15)5-4-6-16(21)24)10-25-22(27)18(28)11-26-23(29)13-7-8-19(30-2)20(9-13)31-3/h4-10,12H,11H2,1-3H3,(H,26,29).
What are the key properties of N-[2-[5-(7-fluoro-1-benzothiophen-3-yl)-1-methylimidazol-2-yl]-2-oxoethyl]-3,4-dimethoxybenzamide?
N-[2-[5-(7-fluoro-1-benzothiophen-3-yl)-1-methylimidazol-2-yl]-2-oxoethyl]-3,4-dimethoxybenzamide has a molecular weight of 453.50 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(7-fluoro-1-benzothiophen-3-yl)-1-methylimidazol-2-yl]-2-oxoethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 90061989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).