5-methoxy-3-[2-oxo-2-(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)ethyl]-2,3-dihydroinden-1-one

C24H28N2O5S2 — CID 3831900

IUPAC5-methoxy-3-[2-oxo-2-(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)ethyl]-2,3-dihydroinden-1-one
SMILESCOc1ccc2c(c1)C(CC(=O)N1CCC3(CCN(S(=O)(=O)c4cccs4)CC3)C1)CC2=O
InChIInChI=1S/C24H28N2O5S2/c1-31-18-4-5-19-20(15-18)17(13-21(19)27)14-22(28)25-9-6-24(16-25)7-10-26(11-8-24)33(29,30)23-3-2-12-32-23/h2-5,12,15,17H,6-11,13-14,16H2,1H3
InChIKeyWCCFARSZYNGVOH-UHFFFAOYSA-N
MW488.63 g/mol
LogP3.52
Rot. Bonds5

About 5-methoxy-3-[2-oxo-2-(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)ethyl]-2,3-dihydroinden-1-one

5-methoxy-3-[2-oxo-2-(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)ethyl]-2,3-dihydroinden-1-one (PubChem CID 3831900) has the molecular formula C24H28N2O5S2 and a molecular weight of 488.63 g/mol. Its IUPAC name is 5-methoxy-3-[2-oxo-2-(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)ethyl]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-methoxy-3-[2-oxo-2-(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)ethyl]-2,3-dihydroinden-1-one
PubChem CID3831900
Molecular FormulaC24H28N2O5S2
Molecular Weight488.63 g/mol
Exact Mass488.14
IUPAC Name5-methoxy-3-[2-oxo-2-(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)ethyl]-2,3-dihydroinden-1-one
SMILESCOc1ccc2c(c1)C(CC(=O)N1CCC3(CCN(S(=O)(=O)c4cccs4)CC3)C1)CC2=O
InChIInChI=1S/C24H28N2O5S2/c1-31-18-4-5-19-20(15-18)17(13-21(19)27)14-22(28)25-9-6-24(16-25)7-10-26(11-8-24)33(29,30)23-3-2-12-32-23/h2-5,12,15,17H,6-11,13-14,16H2,1H3
InChIKeyWCCFARSZYNGVOH-UHFFFAOYSA-N
XLogP3.52
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.63
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-bicyclo[4.2.0]octa-1,3,5-trienyl-(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 3872100
methyl (2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decane-2-carbonyl)amino]propanoate
CID 74224999
3-(4-methoxyphenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one
CID 2713016
(2-methylcyclohexa-2,5-dien-1-yl)-(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 4995125
[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 55388919
(2,4-dimethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 9496437
3-[2-[4-[1-[(1-benzylimidazol-2-yl)methyl]imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]-5-methoxy-2,3-dihydroinden-1-one
CID 3439174
2-(6-methoxy-3-oxo-1,2-dihydroinden-1-yl)acetaldehyde
CID 23587254
1-(3-methoxyphenyl)-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 42652474
7-methoxy-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637194
2-[3-(3-nitrophenyl)pyrazol-1-yl]-1-(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)ethanone
CID 3838322
(4R)-4-[8-(3-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decane-2-carbonyl]-1,3-thiazolidin-2-one
CID 74226589

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[2-oxo-2-(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)ethyl]-2,3-dihydroinden-1-one?
The IUPAC name of 5-methoxy-3-[2-oxo-2-(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)ethyl]-2,3-dihydroinden-1-one (CID 3831900) is 5-methoxy-3-[2-oxo-2-(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)ethyl]-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-methoxy-3-[2-oxo-2-(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)ethyl]-2,3-dihydroinden-1-one?
The canonical SMILES for 5-methoxy-3-[2-oxo-2-(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)ethyl]-2,3-dihydroinden-1-one is COc1ccc2c(c1)C(CC(=O)N1CCC3(CCN(S(=O)(=O)c4cccs4)CC3)C1)CC2=O.
What is the InChIKey of 5-methoxy-3-[2-oxo-2-(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)ethyl]-2,3-dihydroinden-1-one?
The InChIKey is WCCFARSZYNGVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5S2/c1-31-18-4-5-19-20(15-18)17(13-21(19)27)14-22(28)25-9-6-24(16-25)7-10-26(11-8-24)33(29,30)23-3-2-12-32-23/h2-5,12,15,17H,6-11,13-14,16H2,1H3.
What are the key properties of 5-methoxy-3-[2-oxo-2-(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)ethyl]-2,3-dihydroinden-1-one?
5-methoxy-3-[2-oxo-2-(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)ethyl]-2,3-dihydroinden-1-one has a molecular weight of 488.63 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[2-oxo-2-(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)ethyl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 3831900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).