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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Related Compounds

CID 2388112
CID 2388112
CID 164622095
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CID 122502835
CID 122502835
CID 122503214
CID 122503214
CID 1004124
CID 1004124
CID 90043011
CID 90043011
CID 90043156
CID 90043156
CID 90043755
CID 90043755
CID 90043803
CID 90043803
CID 90043862
CID 90043862
CID 90044009
CID 90044009
CID 90044018
CID 90044018

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).