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

C24H19FN2O5S — CID 90062242

IUPACN-[2-[2-(7-fluoro-1-benzothiophen-3-yl)-3-hydroxy-4-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)c2ccnc(-c3csc4c(F)cccc34)c2O)cc1OC
InChIInChI=1S/C24H19FN2O5S/c1-31-19-7-6-13(10-20(19)32-2)24(30)27-11-18(28)15-8-9-26-21(22(15)29)16-12-33-23-14(16)4-3-5-17(23)25/h3-10,12,29H,11H2,1-2H3,(H,27,30)
InChIKeyHOAXNQRUSVZXLA-UHFFFAOYSA-N
MW466.49 g/mol
LogP4.44
Rot. Bonds7

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

N-[2-[2-(7-fluoro-1-benzothiophen-3-yl)-3-hydroxy-4-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide (PubChem CID 90062242) has the molecular formula C24H19FN2O5S and a molecular weight of 466.49 g/mol. Its IUPAC name is N-[2-[2-(7-fluoro-1-benzothiophen-3-yl)-3-hydroxy-4-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[2-(7-fluoro-1-benzothiophen-3-yl)-3-hydroxy-4-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
PubChem CID90062242
Molecular FormulaC24H19FN2O5S
Molecular Weight466.49 g/mol
Exact Mass466.10
IUPAC NameN-[2-[2-(7-fluoro-1-benzothiophen-3-yl)-3-hydroxy-4-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)c2ccnc(-c3csc4c(F)cccc34)c2O)cc1OC
InChIInChI=1S/C24H19FN2O5S/c1-31-19-7-6-13(10-20(19)32-2)24(30)27-11-18(28)15-8-9-26-21(22(15)29)16-12-33-23-14(16)4-3-5-17(23)25/h3-10,12,29H,11H2,1-2H3,(H,27,30)
InChIKeyHOAXNQRUSVZXLA-UHFFFAOYSA-N
XLogP4.44
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-[2-(7-fluoro-1-benzothiophen-3-yl)-3-hydroxy-4-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide 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-[2-(7-fluoro-1-benzothiophen-3-yl)-3-hydroxy-4-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-[2-(7-fluoro-1-benzothiophen-3-yl)-3-hydroxy-4-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide (CID 90062242) is N-[2-[2-(7-fluoro-1-benzothiophen-3-yl)-3-hydroxy-4-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-[2-(7-fluoro-1-benzothiophen-3-yl)-3-hydroxy-4-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-[2-(7-fluoro-1-benzothiophen-3-yl)-3-hydroxy-4-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCC(=O)c2ccnc(-c3csc4c(F)cccc34)c2O)cc1OC.
What is the InChIKey of N-[2-[2-(7-fluoro-1-benzothiophen-3-yl)-3-hydroxy-4-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide?
The InChIKey is HOAXNQRUSVZXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O5S/c1-31-19-7-6-13(10-20(19)32-2)24(30)27-11-18(28)15-8-9-26-21(22(15)29)16-12-33-23-14(16)4-3-5-17(23)25/h3-10,12,29H,11H2,1-2H3,(H,27,30).
What are the key properties of N-[2-[2-(7-fluoro-1-benzothiophen-3-yl)-3-hydroxy-4-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide?
N-[2-[2-(7-fluoro-1-benzothiophen-3-yl)-3-hydroxy-4-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide has a molecular weight of 466.49 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(7-fluoro-1-benzothiophen-3-yl)-3-hydroxy-4-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 90062242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).