N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide

C25H21FN2O5S — CID 90044086

IUPACN-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)c2ccc(OC)c(-c3csc4c(F)cccc34)n2)cc1OC
InChIInChI=1S/C25H21FN2O5S/c1-31-20-9-7-14(11-22(20)33-3)25(30)27-12-19(29)18-8-10-21(32-2)23(28-18)16-13-34-24-15(16)5-4-6-17(24)26/h4-11,13H,12H2,1-3H3,(H,27,30)
InChIKeyOMMAWUCLEAUEQJ-UHFFFAOYSA-N
MW480.52 g/mol
LogP4.74
Rot. Bonds8

About N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide

N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide (PubChem CID 90044086) 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)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
PubChem CID90044086
Molecular FormulaC25H21FN2O5S
Molecular Weight480.52 g/mol
Exact Mass480.12
IUPAC NameN-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)c2ccc(OC)c(-c3csc4c(F)cccc34)n2)cc1OC
InChIInChI=1S/C25H21FN2O5S/c1-31-20-9-7-14(11-22(20)33-3)25(30)27-12-19(29)18-8-10-21(32-2)23(28-18)16-13-34-24-15(16)5-4-6-17(24)26/h4-11,13H,12H2,1-3H3,(H,27,30)
InChIKeyOMMAWUCLEAUEQJ-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)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide (CID 90044086) is N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCC(=O)c2ccc(OC)c(-c3csc4c(F)cccc34)n2)cc1OC.
What is the InChIKey of N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide?
The InChIKey is OMMAWUCLEAUEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O5S/c1-31-20-9-7-14(11-22(20)33-3)25(30)27-12-19(29)18-8-10-21(32-2)23(28-18)16-13-34-24-15(16)5-4-6-17(24)26/h4-11,13H,12H2,1-3H3,(H,27,30).
What are the key properties of N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide?
N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-5-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)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 90044086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).