N-[1-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-methyl-1-oxopropan-2-yl]-3,4-dimethoxybenzamide

C26H23FN2O4S — CID 90061556

IUPACN-[1-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-methyl-1-oxopropan-2-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)(C)C(=O)c2cccc(-c3csc4c(F)cccc34)n2)cc1OC
InChIInChI=1S/C26H23FN2O4S/c1-26(2,29-25(31)15-11-12-21(32-3)22(13-15)33-4)24(30)20-10-6-9-19(28-20)17-14-34-23-16(17)7-5-8-18(23)27/h5-14H,1-4H3,(H,29,31)
InChIKeyHHPSDRHBKMZKKH-UHFFFAOYSA-N
MW478.55 g/mol
LogP5.51
Rot. Bonds7

About N-[1-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-methyl-1-oxopropan-2-yl]-3,4-dimethoxybenzamide

N-[1-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-methyl-1-oxopropan-2-yl]-3,4-dimethoxybenzamide (PubChem CID 90061556) has the molecular formula C26H23FN2O4S and a molecular weight of 478.55 g/mol. Its IUPAC name is N-[1-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-methyl-1-oxopropan-2-yl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[1-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-methyl-1-oxopropan-2-yl]-3,4-dimethoxybenzamide
PubChem CID90061556
Molecular FormulaC26H23FN2O4S
Molecular Weight478.55 g/mol
Exact Mass478.14
IUPAC NameN-[1-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-methyl-1-oxopropan-2-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)(C)C(=O)c2cccc(-c3csc4c(F)cccc34)n2)cc1OC
InChIInChI=1S/C26H23FN2O4S/c1-26(2,29-25(31)15-11-12-21(32-3)22(13-15)33-4)24(30)20-10-6-9-19(28-20)17-14-34-23-16(17)7-5-8-18(23)27/h5-14H,1-4H3,(H,29,31)
InChIKeyHHPSDRHBKMZKKH-UHFFFAOYSA-N
XLogP5.51
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.55
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-methyl-1-oxopropan-2-yl]-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-[1-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-methyl-1-oxopropan-2-yl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[1-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-methyl-1-oxopropan-2-yl]-3,4-dimethoxybenzamide (CID 90061556) is N-[1-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-methyl-1-oxopropan-2-yl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[1-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-methyl-1-oxopropan-2-yl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[1-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-methyl-1-oxopropan-2-yl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NC(C)(C)C(=O)c2cccc(-c3csc4c(F)cccc34)n2)cc1OC.
What is the InChIKey of N-[1-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-methyl-1-oxopropan-2-yl]-3,4-dimethoxybenzamide?
The InChIKey is HHPSDRHBKMZKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O4S/c1-26(2,29-25(31)15-11-12-21(32-3)22(13-15)33-4)24(30)20-10-6-9-19(28-20)17-14-34-23-16(17)7-5-8-18(23)27/h5-14H,1-4H3,(H,29,31).
What are the key properties of N-[1-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-methyl-1-oxopropan-2-yl]-3,4-dimethoxybenzamide?
N-[1-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-methyl-1-oxopropan-2-yl]-3,4-dimethoxybenzamide has a molecular weight of 478.55 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-methyl-1-oxopropan-2-yl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 90061556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).