N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-hydroxy-3-methoxybenzamide

C23H17FN2O4S — CID 90061537

IUPACN-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-hydroxy-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(=O)c2cccc(-c3csc4c(F)cccc34)n2)ccc1O
InChIInChI=1S/C23H17FN2O4S/c1-30-21-10-13(8-9-19(21)27)23(29)25-11-20(28)18-7-3-6-17(26-18)15-12-31-22-14(15)4-2-5-16(22)24/h2-10,12,27H,11H2,1H3,(H,25,29)
InChIKeyOOSMTETWINQFMR-UHFFFAOYSA-N
MW436.46 g/mol
LogP4.43
Rot. Bonds6

About N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-hydroxy-3-methoxybenzamide

N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-hydroxy-3-methoxybenzamide (PubChem CID 90061537) has the molecular formula C23H17FN2O4S and a molecular weight of 436.46 g/mol. Its IUPAC name is N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-hydroxy-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-hydroxy-3-methoxybenzamide
PubChem CID90061537
Molecular FormulaC23H17FN2O4S
Molecular Weight436.46 g/mol
Exact Mass436.09
IUPAC NameN-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-hydroxy-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(=O)c2cccc(-c3csc4c(F)cccc34)n2)ccc1O
InChIInChI=1S/C23H17FN2O4S/c1-30-21-10-13(8-9-19(21)27)23(29)25-11-20(28)18-7-3-6-17(26-18)15-12-31-22-14(15)4-2-5-16(22)24/h2-10,12,27H,11H2,1H3,(H,25,29)
InChIKeyOOSMTETWINQFMR-UHFFFAOYSA-N
XLogP4.43
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-hydroxy-3-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-hydroxy-3-methoxybenzamide?
The IUPAC name of N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-hydroxy-3-methoxybenzamide (CID 90061537) is N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-hydroxy-3-methoxybenzamide.
What is the SMILES notation for N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-hydroxy-3-methoxybenzamide?
The canonical SMILES for N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-hydroxy-3-methoxybenzamide is COc1cc(C(=O)NCC(=O)c2cccc(-c3csc4c(F)cccc34)n2)ccc1O.
What is the InChIKey of N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-hydroxy-3-methoxybenzamide?
The InChIKey is OOSMTETWINQFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O4S/c1-30-21-10-13(8-9-19(21)27)23(29)25-11-20(28)18-7-3-6-17(26-18)15-12-31-22-14(15)4-2-5-16(22)24/h2-10,12,27H,11H2,1H3,(H,25,29).
What are the key properties of N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-hydroxy-3-methoxybenzamide?
N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-hydroxy-3-methoxybenzamide has a molecular weight of 436.46 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-hydroxy-3-methoxybenzamide is sourced from PubChem (CID 90061537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).