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

C25H23FN2O4S — CID 90062028

IUPACN-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methyl-2-pyridinyl]-2-hydroxyethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(O)c2ccc(C)c(-c3csc4c(F)cccc34)n2)cc1OC
InChIInChI=1S/C25H23FN2O4S/c1-14-7-9-19(28-23(14)17-13-33-24-16(17)5-4-6-18(24)26)20(29)12-27-25(30)15-8-10-21(31-2)22(11-15)32-3/h4-11,13,20,29H,12H2,1-3H3,(H,27,30)
InChIKeyIXBLBZCRWNGEDG-UHFFFAOYSA-N
MW466.53 g/mol
LogP4.89
Rot. Bonds7

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

N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methyl-2-pyridinyl]-2-hydroxyethyl]-3,4-dimethoxybenzamide (PubChem CID 90062028) has the molecular formula C25H23FN2O4S and a molecular weight of 466.53 g/mol. Its IUPAC name is N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methyl-2-pyridinyl]-2-hydroxyethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methyl-2-pyridinyl]-2-hydroxyethyl]-3,4-dimethoxybenzamide
PubChem CID90062028
Molecular FormulaC25H23FN2O4S
Molecular Weight466.53 g/mol
Exact Mass466.14
IUPAC NameN-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methyl-2-pyridinyl]-2-hydroxyethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(O)c2ccc(C)c(-c3csc4c(F)cccc34)n2)cc1OC
InChIInChI=1S/C25H23FN2O4S/c1-14-7-9-19(28-23(14)17-13-33-24-16(17)5-4-6-18(24)26)20(29)12-27-25(30)15-8-10-21(31-2)22(11-15)32-3/h4-11,13,20,29H,12H2,1-3H3,(H,27,30)
InChIKeyIXBLBZCRWNGEDG-UHFFFAOYSA-N
XLogP4.89
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.53
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methyl-2-pyridinyl]-2-hydroxyethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methyl-2-pyridinyl]-2-hydroxyethyl]-3,4-dimethoxybenzamide (CID 90062028) is N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methyl-2-pyridinyl]-2-hydroxyethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methyl-2-pyridinyl]-2-hydroxyethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methyl-2-pyridinyl]-2-hydroxyethyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCC(O)c2ccc(C)c(-c3csc4c(F)cccc34)n2)cc1OC.
What is the InChIKey of N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methyl-2-pyridinyl]-2-hydroxyethyl]-3,4-dimethoxybenzamide?
The InChIKey is IXBLBZCRWNGEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O4S/c1-14-7-9-19(28-23(14)17-13-33-24-16(17)5-4-6-18(24)26)20(29)12-27-25(30)15-8-10-21(31-2)22(11-15)32-3/h4-11,13,20,29H,12H2,1-3H3,(H,27,30).
What are the key properties of N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methyl-2-pyridinyl]-2-hydroxyethyl]-3,4-dimethoxybenzamide?
N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methyl-2-pyridinyl]-2-hydroxyethyl]-3,4-dimethoxybenzamide has a molecular weight of 466.53 g/mol, XLogP of 4.89, 7 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)-5-methyl-2-pyridinyl]-2-hydroxyethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 90062028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).