2-(1'-naphthalen-2-ylsulfonyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetic acid

C24H22N2O5S — CID 59564958

IUPAC2-(1'-naphthalen-2-ylsulfonyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetic acid
SMILESO=C(O)CN1C(=O)C2(CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c2ccccc21
InChIInChI=1S/C24H22N2O5S/c27-22(28)16-26-21-8-4-3-7-20(21)24(23(26)29)11-13-25(14-12-24)32(30,31)19-10-9-17-5-1-2-6-18(17)15-19/h1-10,15H,11-14,16H2,(H,27,28)
InChIKeyHLIREIKXOXZKKB-UHFFFAOYSA-N
MW450.52 g/mol
LogP2.99
Rot. Bonds4

About 2-(1'-naphthalen-2-ylsulfonyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetic acid

2-(1'-naphthalen-2-ylsulfonyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetic acid (PubChem CID 59564958) has the molecular formula C24H22N2O5S and a molecular weight of 450.52 g/mol. Its IUPAC name is 2-(1'-naphthalen-2-ylsulfonyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetic acid.

Molecular Properties

Compound Name2-(1'-naphthalen-2-ylsulfonyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetic acid
PubChem CID59564958
Molecular FormulaC24H22N2O5S
Molecular Weight450.52 g/mol
Exact Mass450.12
IUPAC Name2-(1'-naphthalen-2-ylsulfonyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetic acid
SMILESO=C(O)CN1C(=O)C2(CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c2ccccc21
InChIInChI=1S/C24H22N2O5S/c27-22(28)16-26-21-8-4-3-7-20(21)24(23(26)29)11-13-25(14-12-24)32(30,31)19-10-9-17-5-1-2-6-18(17)15-19/h1-10,15H,11-14,16H2,(H,27,28)
InChIKeyHLIREIKXOXZKKB-UHFFFAOYSA-N
XLogP2.99
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1'-[4-(5-fluoropyrimidin-2-yl)phenyl]sulfonyl-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetic acid
CID 59564952
1'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-ethylspiro[indole-3,4'-piperidine]-2-one
CID 91904611
1-ethyl-1'-(4-methylphenyl)sulfonylspiro[indole-3,4'-piperidine]-2-one
CID 91904617
1-ethyl-1'-(3-methoxyphenyl)sulfonylspiro[indole-3,4'-piperidine]-2-one
CID 91904609
3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 27509133
3-(2-morpholin-4-yl-2-oxoethyl)-8-naphthalen-2-ylsulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 3954041
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722
1-methylsulfonyl-4-naphthalen-2-ylsulfonylpiperazine;oxalic acid
CID 126477286
N-butan-2-yl-2-(8-naphthalen-2-ylsulfonyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide
CID 5021406
1-naphthalen-2-ylsulfonyl-4-phenylpiperidine
CID 4729267
(8-naphthalen-2-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)-phenylmethanone
CID 5222252
4-cyclopropylidene-1-naphthalen-2-ylsulfonylpiperidine
CID 121187246

Frequently Asked Questions

What is the IUPAC name of 2-(1'-naphthalen-2-ylsulfonyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetic acid?
The IUPAC name of 2-(1'-naphthalen-2-ylsulfonyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetic acid (CID 59564958) is 2-(1'-naphthalen-2-ylsulfonyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetic acid.
What is the SMILES notation for 2-(1'-naphthalen-2-ylsulfonyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetic acid?
The canonical SMILES for 2-(1'-naphthalen-2-ylsulfonyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetic acid is O=C(O)CN1C(=O)C2(CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c2ccccc21.
What is the InChIKey of 2-(1'-naphthalen-2-ylsulfonyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetic acid?
The InChIKey is HLIREIKXOXZKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5S/c27-22(28)16-26-21-8-4-3-7-20(21)24(23(26)29)11-13-25(14-12-24)32(30,31)19-10-9-17-5-1-2-6-18(17)15-19/h1-10,15H,11-14,16H2,(H,27,28).
What are the key properties of 2-(1'-naphthalen-2-ylsulfonyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetic acid?
2-(1'-naphthalen-2-ylsulfonyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetic acid has a molecular weight of 450.52 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1'-naphthalen-2-ylsulfonyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetic acid is sourced from PubChem (CID 59564958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).