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

C25H21FN2O5S — CID 90061794

IUPACN-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-methoxy-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESCOc1cc(C(=O)CNC(=O)c2ccc(OC)c(OC)c2)nc(-c2csc3c(F)cccc23)c1
InChIInChI=1S/C25H21FN2O5S/c1-31-15-10-19(17-13-34-24-16(17)5-4-6-18(24)26)28-20(11-15)21(29)12-27-25(30)14-7-8-22(32-2)23(9-14)33-3/h4-11,13H,12H2,1-3H3,(H,27,30)
InChIKeyWWSVUGQWVTWARA-UHFFFAOYSA-N
MW480.52 g/mol
LogP4.74
Rot. Bonds8

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

N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-methoxy-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide (PubChem CID 90061794) has the molecular formula C25H21FN2O5S and a molecular weight of 480.52 g/mol. Its IUPAC name is N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-methoxy-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-methoxy-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
PubChem CID90061794
Molecular FormulaC25H21FN2O5S
Molecular Weight480.52 g/mol
Exact Mass480.12
IUPAC NameN-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-methoxy-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESCOc1cc(C(=O)CNC(=O)c2ccc(OC)c(OC)c2)nc(-c2csc3c(F)cccc23)c1
InChIInChI=1S/C25H21FN2O5S/c1-31-15-10-19(17-13-34-24-16(17)5-4-6-18(24)26)28-20(11-15)21(29)12-27-25(30)14-7-8-22(32-2)23(9-14)33-3/h4-11,13H,12H2,1-3H3,(H,27,30)
InChIKeyWWSVUGQWVTWARA-UHFFFAOYSA-N
XLogP4.74
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-methoxy-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-methoxy-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide (CID 90061794) is N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-methoxy-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-methoxy-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-methoxy-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide is COc1cc(C(=O)CNC(=O)c2ccc(OC)c(OC)c2)nc(-c2csc3c(F)cccc23)c1.
What is the InChIKey of N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-methoxy-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide?
The InChIKey is WWSVUGQWVTWARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O5S/c1-31-15-10-19(17-13-34-24-16(17)5-4-6-18(24)26)28-20(11-15)21(29)12-27-25(30)14-7-8-22(32-2)23(9-14)33-3/h4-11,13H,12H2,1-3H3,(H,27,30).
What are the key properties of N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-methoxy-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide?
N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-methoxy-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide has a molecular weight of 480.52 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-methoxy-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 90061794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).