4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[4-fluoro-3-(methanesulfonamido)phenyl]benzamide

C23H28FN3O5S — CID 24659652

IUPAC4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[4-fluoro-3-(methanesulfonamido)phenyl]benzamide
SMILESCC1CCCC(C)N1C(=O)COc1ccc(C(=O)Nc2ccc(F)c(NS(C)(=O)=O)c2)cc1
InChIInChI=1S/C23H28FN3O5S/c1-15-5-4-6-16(2)27(15)22(28)14-32-19-10-7-17(8-11-19)23(29)25-18-9-12-20(24)21(13-18)26-33(3,30)31/h7-13,15-16,26H,4-6,14H2,1-3H3,(H,25,29)
InChIKeyWNDHQOYBXJHWRA-UHFFFAOYSA-N
MW477.56 g/mol
LogP3.62
Rot. Bonds7

About 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[4-fluoro-3-(methanesulfonamido)phenyl]benzamide

4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[4-fluoro-3-(methanesulfonamido)phenyl]benzamide (PubChem CID 24659652) has the molecular formula C23H28FN3O5S and a molecular weight of 477.56 g/mol. Its IUPAC name is 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[4-fluoro-3-(methanesulfonamido)phenyl]benzamide.

Molecular Properties

Compound Name4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[4-fluoro-3-(methanesulfonamido)phenyl]benzamide
PubChem CID24659652
Molecular FormulaC23H28FN3O5S
Molecular Weight477.56 g/mol
Exact Mass477.17
IUPAC Name4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[4-fluoro-3-(methanesulfonamido)phenyl]benzamide
SMILESCC1CCCC(C)N1C(=O)COc1ccc(C(=O)Nc2ccc(F)c(NS(C)(=O)=O)c2)cc1
InChIInChI=1S/C23H28FN3O5S/c1-15-5-4-6-16(2)27(15)22(28)14-32-19-10-7-17(8-11-19)23(29)25-18-9-12-20(24)21(13-18)26-33(3,30)31/h7-13,15-16,26H,4-6,14H2,1-3H3,(H,25,29)
InChIKeyWNDHQOYBXJHWRA-UHFFFAOYSA-N
XLogP3.62
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.56
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-N-pyridin-4-ylbenzamide
CID 25352382
methyl 2-[[4-[[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]amino]benzoyl]amino]acetate
CID 55396774
N-(2-aminophenyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide
CID 119421973
methyl 3-[[4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzoyl]amino]-4-methylbenzoate
CID 26198255
4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[6-(2-methoxyethoxy)-3-pyridinyl]benzamide
CID 55635303
1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 769399
4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-(2-methyl-4-propoxyphenyl)benzamide
CID 60540539
4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 55584640
4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 47016422
4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-(4-methyl-2-propoxyphenyl)benzamide
CID 55901974
2-(4-acetyl-3-fluorophenoxy)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 95316685
1-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]propan-1-one
CID 78760343

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[4-fluoro-3-(methanesulfonamido)phenyl]benzamide?
The IUPAC name of 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[4-fluoro-3-(methanesulfonamido)phenyl]benzamide (CID 24659652) is 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[4-fluoro-3-(methanesulfonamido)phenyl]benzamide.
What is the SMILES notation for 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[4-fluoro-3-(methanesulfonamido)phenyl]benzamide?
The canonical SMILES for 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[4-fluoro-3-(methanesulfonamido)phenyl]benzamide is CC1CCCC(C)N1C(=O)COc1ccc(C(=O)Nc2ccc(F)c(NS(C)(=O)=O)c2)cc1.
What is the InChIKey of 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[4-fluoro-3-(methanesulfonamido)phenyl]benzamide?
The InChIKey is WNDHQOYBXJHWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O5S/c1-15-5-4-6-16(2)27(15)22(28)14-32-19-10-7-17(8-11-19)23(29)25-18-9-12-20(24)21(13-18)26-33(3,30)31/h7-13,15-16,26H,4-6,14H2,1-3H3,(H,25,29).
What are the key properties of 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[4-fluoro-3-(methanesulfonamido)phenyl]benzamide?
4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[4-fluoro-3-(methanesulfonamido)phenyl]benzamide has a molecular weight of 477.56 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[4-fluoro-3-(methanesulfonamido)phenyl]benzamide is sourced from PubChem (CID 24659652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).