2-(4-fluoro-2-methoxyphenyl)-1-[(8R)-8-(methoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone

C17H22FNO5S — CID 124915542

IUPAC2-(4-fluoro-2-methoxyphenyl)-1-[(8R)-8-(methoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone
SMILESCOC[C@H]1CCS(=O)(=O)C12CN(C(=O)Cc1ccc(F)cc1OC)C2
InChIInChI=1S/C17H22FNO5S/c1-23-9-13-5-6-25(21,22)17(13)10-19(11-17)16(20)7-12-3-4-14(18)8-15(12)24-2/h3-4,8,13H,5-7,9-11H2,1-2H3/t13-/m1/s1
InChIKeyOOSUHJZVMNDWJB-CYBMUJFWSA-N
MW371.43 g/mol
LogP1.04
Rot. Bonds5

About 2-(4-fluoro-2-methoxyphenyl)-1-[(8R)-8-(methoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone

2-(4-fluoro-2-methoxyphenyl)-1-[(8R)-8-(methoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone (PubChem CID 124915542) has the molecular formula C17H22FNO5S and a molecular weight of 371.43 g/mol. Its IUPAC name is 2-(4-fluoro-2-methoxyphenyl)-1-[(8R)-8-(methoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluoro-2-methoxyphenyl)-1-[(8R)-8-(methoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone
PubChem CID124915542
Molecular FormulaC17H22FNO5S
Molecular Weight371.43 g/mol
Exact Mass371.12
IUPAC Name2-(4-fluoro-2-methoxyphenyl)-1-[(8R)-8-(methoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone
SMILESCOC[C@H]1CCS(=O)(=O)C12CN(C(=O)Cc1ccc(F)cc1OC)C2
InChIInChI=1S/C17H22FNO5S/c1-23-9-13-5-6-25(21,22)17(13)10-19(11-17)16(20)7-12-3-4-14(18)8-15(12)24-2/h3-4,8,13H,5-7,9-11H2,1-2H3/t13-/m1/s1
InChIKeyOOSUHJZVMNDWJB-CYBMUJFWSA-N
XLogP1.04
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-fluoro-2-methoxyphenyl)-1-[(8R)-8-(methoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone with MolForge

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Related Compounds

2-[2-(5-fluoro-2-methoxyphenyl)acetyl]-N-methyl-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octane-8-carboxamide
CID 146114539
1-[(8R)-8-(cyclopropylmethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-2-(2-methylphenyl)ethanone
CID 124821417
1-[4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-6-yl]-2-(4-fluoro-2-methoxyphenyl)ethanone
CID 131660498
1-[(4aS,8aS)-4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-6-yl]-2-(4-fluoro-2-methoxyphenyl)ethanone
CID 97363292
[(8S)-8-(methoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(6-methyl-3-pyridinyl)methanone
CID 124817712
2-ethoxy-1-[8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 131669103
1-[(4R)-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-fluoro-2-methoxyphenyl)ethanone
CID 124799575
1-[(7R)-7-[(dimethylamino)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-(4-fluoro-2-methoxyphenyl)ethanone
CID 124815563
(8R)-2-(3-chlorophenyl)sulfonyl-8-(methoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 124798676
1-(4-acetylpiperazin-1-yl)-2-(5-fluoro-2-methoxyphenyl)ethanone
CID 110767129
2-(5-fluoro-2-methoxyphenyl)-1-piperazin-1-ylethanone
CID 82087911
2-(4-fluoro-2-methylphenyl)-1-(4-methoxypiperidin-1-yl)ethanone
CID 91772484

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methoxyphenyl)-1-[(8R)-8-(methoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone?
The IUPAC name of 2-(4-fluoro-2-methoxyphenyl)-1-[(8R)-8-(methoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone (CID 124915542) is 2-(4-fluoro-2-methoxyphenyl)-1-[(8R)-8-(methoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone.
What is the SMILES notation for 2-(4-fluoro-2-methoxyphenyl)-1-[(8R)-8-(methoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone?
The canonical SMILES for 2-(4-fluoro-2-methoxyphenyl)-1-[(8R)-8-(methoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone is COC[C@H]1CCS(=O)(=O)C12CN(C(=O)Cc1ccc(F)cc1OC)C2.
What is the InChIKey of 2-(4-fluoro-2-methoxyphenyl)-1-[(8R)-8-(methoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone?
The InChIKey is OOSUHJZVMNDWJB-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22FNO5S/c1-23-9-13-5-6-25(21,22)17(13)10-19(11-17)16(20)7-12-3-4-14(18)8-15(12)24-2/h3-4,8,13H,5-7,9-11H2,1-2H3/t13-/m1/s1.
What are the key properties of 2-(4-fluoro-2-methoxyphenyl)-1-[(8R)-8-(methoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone?
2-(4-fluoro-2-methoxyphenyl)-1-[(8R)-8-(methoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone has a molecular weight of 371.43 g/mol, XLogP of 1.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methoxyphenyl)-1-[(8R)-8-(methoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone is sourced from PubChem (CID 124915542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).