N-[2-[2-(7-fluoro-1-benzothiophen-3-yl)-1-methylimidazol-4-yl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide

C24H22FN3O5S — CID 90061602

IUPACN-[2-[2-(7-fluoro-1-benzothiophen-3-yl)-1-methylimidazol-4-yl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(=O)c2cn(C)c(-c3csc4c(F)cccc34)n2)ccc1OCCO
InChIInChI=1S/C24H22FN3O5S/c1-28-12-18(27-23(28)16-13-34-22-15(16)4-3-5-17(22)25)19(30)11-26-24(31)14-6-7-20(33-9-8-29)21(10-14)32-2/h3-7,10,12-13,29H,8-9,11H2,1-2H3,(H,26,31)
InChIKeyWOONOQLXHBOAIX-UHFFFAOYSA-N
MW483.52 g/mol
LogP3.43
Rot. Bonds9

About N-[2-[2-(7-fluoro-1-benzothiophen-3-yl)-1-methylimidazol-4-yl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide

N-[2-[2-(7-fluoro-1-benzothiophen-3-yl)-1-methylimidazol-4-yl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide (PubChem CID 90061602) has the molecular formula C24H22FN3O5S and a molecular weight of 483.52 g/mol. Its IUPAC name is N-[2-[2-(7-fluoro-1-benzothiophen-3-yl)-1-methylimidazol-4-yl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[2-(7-fluoro-1-benzothiophen-3-yl)-1-methylimidazol-4-yl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
PubChem CID90061602
Molecular FormulaC24H22FN3O5S
Molecular Weight483.52 g/mol
Exact Mass483.13
IUPAC NameN-[2-[2-(7-fluoro-1-benzothiophen-3-yl)-1-methylimidazol-4-yl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(=O)c2cn(C)c(-c3csc4c(F)cccc34)n2)ccc1OCCO
InChIInChI=1S/C24H22FN3O5S/c1-28-12-18(27-23(28)16-13-34-22-15(16)4-3-5-17(22)25)19(30)11-26-24(31)14-6-7-20(33-9-8-29)21(10-14)32-2/h3-7,10,12-13,29H,8-9,11H2,1-2H3,(H,26,31)
InChIKeyWOONOQLXHBOAIX-UHFFFAOYSA-N
XLogP3.43
TPSA102.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.52
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(7-fluoro-1-benzothiophen-3-yl)-1-methylimidazol-4-yl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide?
The IUPAC name of N-[2-[2-(7-fluoro-1-benzothiophen-3-yl)-1-methylimidazol-4-yl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide (CID 90061602) is N-[2-[2-(7-fluoro-1-benzothiophen-3-yl)-1-methylimidazol-4-yl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide.
What is the SMILES notation for N-[2-[2-(7-fluoro-1-benzothiophen-3-yl)-1-methylimidazol-4-yl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide?
The canonical SMILES for N-[2-[2-(7-fluoro-1-benzothiophen-3-yl)-1-methylimidazol-4-yl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide is COc1cc(C(=O)NCC(=O)c2cn(C)c(-c3csc4c(F)cccc34)n2)ccc1OCCO.
What is the InChIKey of N-[2-[2-(7-fluoro-1-benzothiophen-3-yl)-1-methylimidazol-4-yl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide?
The InChIKey is WOONOQLXHBOAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O5S/c1-28-12-18(27-23(28)16-13-34-22-15(16)4-3-5-17(22)25)19(30)11-26-24(31)14-6-7-20(33-9-8-29)21(10-14)32-2/h3-7,10,12-13,29H,8-9,11H2,1-2H3,(H,26,31).
What are the key properties of N-[2-[2-(7-fluoro-1-benzothiophen-3-yl)-1-methylimidazol-4-yl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide?
N-[2-[2-(7-fluoro-1-benzothiophen-3-yl)-1-methylimidazol-4-yl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide has a molecular weight of 483.52 g/mol, XLogP of 3.43, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(7-fluoro-1-benzothiophen-3-yl)-1-methylimidazol-4-yl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide is sourced from PubChem (CID 90061602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).