4-(2-amino-2-oxoethoxy)-N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-hydroxyethyl]-3-methoxybenzamide

C25H22FN3O5S — CID 90061879

IUPAC4-(2-amino-2-oxoethoxy)-N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-hydroxyethyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(O)c2cccc(-c3csc4c(F)cccc34)n2)ccc1OCC(N)=O
InChIInChI=1S/C25H22FN3O5S/c1-33-22-10-14(8-9-21(22)34-12-23(27)31)25(32)28-11-20(30)19-7-3-6-18(29-19)16-13-35-24-15(16)4-2-5-17(24)26/h2-10,13,20,30H,11-12H2,1H3,(H2,27,31)(H,28,32)
InChIKeyXSWBLINPIPITRB-UHFFFAOYSA-N
MW495.53 g/mol
LogP3.44
Rot. Bonds9

About 4-(2-amino-2-oxoethoxy)-N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-hydroxyethyl]-3-methoxybenzamide

4-(2-amino-2-oxoethoxy)-N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-hydroxyethyl]-3-methoxybenzamide (PubChem CID 90061879) has the molecular formula C25H22FN3O5S and a molecular weight of 495.53 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-hydroxyethyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-hydroxyethyl]-3-methoxybenzamide
PubChem CID90061879
Molecular FormulaC25H22FN3O5S
Molecular Weight495.53 g/mol
Exact Mass495.13
IUPAC Name4-(2-amino-2-oxoethoxy)-N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-hydroxyethyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(O)c2cccc(-c3csc4c(F)cccc34)n2)ccc1OCC(N)=O
InChIInChI=1S/C25H22FN3O5S/c1-33-22-10-14(8-9-21(22)34-12-23(27)31)25(32)28-11-20(30)19-7-3-6-18(29-19)16-13-35-24-15(16)4-2-5-17(24)26/h2-10,13,20,30H,11-12H2,1H3,(H2,27,31)(H,28,32)
InChIKeyXSWBLINPIPITRB-UHFFFAOYSA-N
XLogP3.44
TPSA123.77 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.53
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-(2-amino-2-oxoethoxy)-N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-hydroxyethyl]-3-methoxybenzamide with MolForge

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Related Compounds

[2-[(3,4-Dimethoxyphenyl)methylamino]-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 2388112
2-[3-Methoxy-4-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]phenyl]quinoline-4-carboxylic acid
CID 164622095
US20260028334, Example 3/1
CID 169229454
N-[2-[4-chloro-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-hydroxyethyl]-3,4-dimethoxybenzamide
CID 90043011
N-[2-[4-ethyl-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 90043156
N-[2-[4-chloro-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-hydroxyethyl]-3-methoxy-4-[2-(oxan-2-yloxy)ethoxy]benzamide
CID 90043755
N-[2-[4-chloro-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]benzamide
CID 90043803
N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 90043862
N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxy-2-methoxyethoxy)-3-methoxybenzamide
CID 90044009
N-[2-[4-(7-fluoro-1-benzothiophen-3-yl)-6-methoxypyrimidin-2-yl]-2-hydroxyethyl]-3,4-dimethoxybenzamide
CID 90044018
N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 90044086
N-(2-(2-(7-fluorobenzo[b]thiophen-3-yl)pyrimidin-4-yl)-2-hydroxyethyl)-3,4-dimethoxy-benzamide
CID 90044196

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-hydroxyethyl]-3-methoxybenzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-hydroxyethyl]-3-methoxybenzamide (CID 90061879) is 4-(2-amino-2-oxoethoxy)-N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-hydroxyethyl]-3-methoxybenzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-hydroxyethyl]-3-methoxybenzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-hydroxyethyl]-3-methoxybenzamide is COc1cc(C(=O)NCC(O)c2cccc(-c3csc4c(F)cccc34)n2)ccc1OCC(N)=O.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-hydroxyethyl]-3-methoxybenzamide?
The InChIKey is XSWBLINPIPITRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O5S/c1-33-22-10-14(8-9-21(22)34-12-23(27)31)25(32)28-11-20(30)19-7-3-6-18(29-19)16-13-35-24-15(16)4-2-5-17(24)26/h2-10,13,20,30H,11-12H2,1H3,(H2,27,31)(H,28,32).
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-hydroxyethyl]-3-methoxybenzamide?
4-(2-amino-2-oxoethoxy)-N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-hydroxyethyl]-3-methoxybenzamide has a molecular weight of 495.53 g/mol, XLogP of 3.44, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-hydroxyethyl]-3-methoxybenzamide is sourced from PubChem (CID 90061879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).