2-[4-(2-methoxyethoxy)phenyl]-8-[2-(trifluoromethoxy)phenyl]sulfonyl-2,8-diazaspiro[4.5]decan-1-one

C24H27F3N2O6S — CID 59577883

IUPAC2-[4-(2-methoxyethoxy)phenyl]-8-[2-(trifluoromethoxy)phenyl]sulfonyl-2,8-diazaspiro[4.5]decan-1-one
SMILESCOCCOc1ccc(N2CCC3(CCN(S(=O)(=O)c4ccccc4OC(F)(F)F)CC3)C2=O)cc1
InChIInChI=1S/C24H27F3N2O6S/c1-33-16-17-34-19-8-6-18(7-9-19)29-15-12-23(22(29)30)10-13-28(14-11-23)36(31,32)21-5-3-2-4-20(21)35-24(25,26)27/h2-9H,10-17H2,1H3
InChIKeyILHRPNQMBRCZGP-UHFFFAOYSA-N
MW528.55 g/mol
LogP3.82
Rot. Bonds8

About 2-[4-(2-methoxyethoxy)phenyl]-8-[2-(trifluoromethoxy)phenyl]sulfonyl-2,8-diazaspiro[4.5]decan-1-one

2-[4-(2-methoxyethoxy)phenyl]-8-[2-(trifluoromethoxy)phenyl]sulfonyl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 59577883) has the molecular formula C24H27F3N2O6S and a molecular weight of 528.55 g/mol. Its IUPAC name is 2-[4-(2-methoxyethoxy)phenyl]-8-[2-(trifluoromethoxy)phenyl]sulfonyl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-[4-(2-methoxyethoxy)phenyl]-8-[2-(trifluoromethoxy)phenyl]sulfonyl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID59577883
Molecular FormulaC24H27F3N2O6S
Molecular Weight528.55 g/mol
Exact Mass528.15
IUPAC Name2-[4-(2-methoxyethoxy)phenyl]-8-[2-(trifluoromethoxy)phenyl]sulfonyl-2,8-diazaspiro[4.5]decan-1-one
SMILESCOCCOc1ccc(N2CCC3(CCN(S(=O)(=O)c4ccccc4OC(F)(F)F)CC3)C2=O)cc1
InChIInChI=1S/C24H27F3N2O6S/c1-33-16-17-34-19-8-6-18(7-9-19)29-15-12-23(22(29)30)10-13-28(14-11-23)36(31,32)21-5-3-2-4-20(21)35-24(25,26)27/h2-9H,10-17H2,1H3
InChIKeyILHRPNQMBRCZGP-UHFFFAOYSA-N
XLogP3.82
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.55
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-((4-ethoxyphenyl)amino)-3-oxopropyl)-1-(phenylsulfonyl)piperidine-4-carboxamide
CID 17585954
1-(4-ethoxyphenyl)-N-[4-(morpholin-4-ylsulfonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 2998569
1-(2-fluorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 16305891
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 16328571
N,4-dimethyl-N-[4-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethoxy]phenyl]benzenesulfonamide
CID 24979465
(5RS,6RS)-6-Hydroxy-8-(2-trifluoromethoxy-benzenesulfonyl)-2-(4-trifluoromethoxy-phenyl)-2,8-diaza-spiro[4.5]decan-1-one
CID 56602662
(5RS,6RS)-8-(2-Chloro-benzenesulfonyl)-6-hydroxy-2-[4-((rac)-2,2,2-trifluoro-1-methyl-ethoxy)-phenyl]-2,8-diaza-spiro[4.5]decan-1-one
CID 56602715
(3aS,7aR)-2-(4-fluorophenyl)sulfonyl-5-[4-(trifluoromethoxy)phenyl]-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 71009021
(3aR,7aS)-2-(benzenesulfonyl)-5-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 71009155
(3aR,7aS)-5-(4-(2,2,2-Trifluoroethoxy)phenyl)-2-((2-(trifluoromethoxy)phenyl)sulfonyl)hexahydro-1H-pyrrolo[3,4-c]pyridin-4(2H)-one
CID 71471341
(3aR,7aS)-5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-[2-(trifluoromethyl)phenyl]sulfonyl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 71471457
N-(4-ethoxyphenyl)-4-fluoro-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 1289498

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethoxy)phenyl]-8-[2-(trifluoromethoxy)phenyl]sulfonyl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-[4-(2-methoxyethoxy)phenyl]-8-[2-(trifluoromethoxy)phenyl]sulfonyl-2,8-diazaspiro[4.5]decan-1-one (CID 59577883) is 2-[4-(2-methoxyethoxy)phenyl]-8-[2-(trifluoromethoxy)phenyl]sulfonyl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-[4-(2-methoxyethoxy)phenyl]-8-[2-(trifluoromethoxy)phenyl]sulfonyl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-[4-(2-methoxyethoxy)phenyl]-8-[2-(trifluoromethoxy)phenyl]sulfonyl-2,8-diazaspiro[4.5]decan-1-one is COCCOc1ccc(N2CCC3(CCN(S(=O)(=O)c4ccccc4OC(F)(F)F)CC3)C2=O)cc1.
What is the InChIKey of 2-[4-(2-methoxyethoxy)phenyl]-8-[2-(trifluoromethoxy)phenyl]sulfonyl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is ILHRPNQMBRCZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N2O6S/c1-33-16-17-34-19-8-6-18(7-9-19)29-15-12-23(22(29)30)10-13-28(14-11-23)36(31,32)21-5-3-2-4-20(21)35-24(25,26)27/h2-9H,10-17H2,1H3.
What are the key properties of 2-[4-(2-methoxyethoxy)phenyl]-8-[2-(trifluoromethoxy)phenyl]sulfonyl-2,8-diazaspiro[4.5]decan-1-one?
2-[4-(2-methoxyethoxy)phenyl]-8-[2-(trifluoromethoxy)phenyl]sulfonyl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 528.55 g/mol, XLogP of 3.82, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethoxy)phenyl]-8-[2-(trifluoromethoxy)phenyl]sulfonyl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 59577883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).