8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-methylphenyl)sulfonyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C24H26FN3O4S — CID 10390024

IUPAC8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-methylphenyl)sulfonyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1ccc(S(=O)(=O)N2CC3(CCN(CCc4c[nH]c5ccc(F)cc45)CC3)OC2=O)cc1
InChIInChI=1S/C24H26FN3O4S/c1-17-2-5-20(6-3-17)33(30,31)28-16-24(32-23(28)29)9-12-27(13-10-24)11-8-18-15-26-22-7-4-19(25)14-21(18)22/h2-7,14-15,26H,8-13,16H2,1H3
InChIKeyXAVRPPMMRWERII-UHFFFAOYSA-N
MW471.55 g/mol
LogP3.83
Rot. Bonds5

About 8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-methylphenyl)sulfonyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-methylphenyl)sulfonyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 10390024) has the molecular formula C24H26FN3O4S and a molecular weight of 471.55 g/mol. Its IUPAC name is 8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-methylphenyl)sulfonyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-methylphenyl)sulfonyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID10390024
Molecular FormulaC24H26FN3O4S
Molecular Weight471.55 g/mol
Exact Mass471.16
IUPAC Name8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-methylphenyl)sulfonyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1ccc(S(=O)(=O)N2CC3(CCN(CCc4c[nH]c5ccc(F)cc45)CC3)OC2=O)cc1
InChIInChI=1S/C24H26FN3O4S/c1-17-2-5-20(6-3-17)33(30,31)28-16-24(32-23(28)29)9-12-27(13-10-24)11-8-18-15-26-22-7-4-19(25)14-21(18)22/h2-7,14-15,26H,8-13,16H2,1H3
InChIKeyXAVRPPMMRWERII-UHFFFAOYSA-N
XLogP3.83
TPSA82.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.55
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-methylphenyl)sulfonyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-methylphenyl)sulfonyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-methylphenyl)sulfonyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 10390024) is 8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-methylphenyl)sulfonyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-methylphenyl)sulfonyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-methylphenyl)sulfonyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is Cc1ccc(S(=O)(=O)N2CC3(CCN(CCc4c[nH]c5ccc(F)cc45)CC3)OC2=O)cc1.
What is the InChIKey of 8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-methylphenyl)sulfonyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is XAVRPPMMRWERII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O4S/c1-17-2-5-20(6-3-17)33(30,31)28-16-24(32-23(28)29)9-12-27(13-10-24)11-8-18-15-26-22-7-4-19(25)14-21(18)22/h2-7,14-15,26H,8-13,16H2,1H3.
What are the key properties of 8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-methylphenyl)sulfonyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-methylphenyl)sulfonyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 471.55 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-methylphenyl)sulfonyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 10390024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).