1'-[2-(2,6-dichlorophenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one

C20H18Cl2N2O2S — CID 59862912

IUPAC1'-[2-(2,6-dichlorophenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESO=C(CSc1c(Cl)cccc1Cl)N1CCC2(CC1)C(=O)Nc1ccccc12
InChIInChI=1S/C20H18Cl2N2O2S/c21-14-5-3-6-15(22)18(14)27-12-17(25)24-10-8-20(9-11-24)13-4-1-2-7-16(13)23-19(20)26/h1-7H,8-12H2,(H,23,26)
InChIKeyVNURBCYOYZUEOL-UHFFFAOYSA-N
MW421.35 g/mol
LogP4.60
Rot. Bonds3

About 1'-[2-(2,6-dichlorophenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one

1'-[2-(2,6-dichlorophenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 59862912) has the molecular formula C20H18Cl2N2O2S and a molecular weight of 421.35 g/mol. Its IUPAC name is 1'-[2-(2,6-dichlorophenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[2-(2,6-dichlorophenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID59862912
Molecular FormulaC20H18Cl2N2O2S
Molecular Weight421.35 g/mol
Exact Mass420.05
IUPAC Name1'-[2-(2,6-dichlorophenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESO=C(CSc1c(Cl)cccc1Cl)N1CCC2(CC1)C(=O)Nc1ccccc12
InChIInChI=1S/C20H18Cl2N2O2S/c21-14-5-3-6-15(22)18(14)27-12-17(25)24-10-8-20(9-11-24)13-4-1-2-7-16(13)23-19(20)26/h1-7H,8-12H2,(H,23,26)
InChIKeyVNURBCYOYZUEOL-UHFFFAOYSA-N
XLogP4.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.35
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1'-[2-(2,6-dichlorophenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one with MolForge

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Related Compounds

1'-[2-(4-fluorophenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 59862924
1'-(2-pyrimidin-2-ylsulfanylacetyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 56901703
1'-[2-(2,3-dichlorophenoxy)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 25119442
1'-[2-(3-methoxyphenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 59862913
1'-(4-chlorobenzoyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 56892371
1'-[2-(2,6-dimethylphenoxy)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 59862940
1-(azepan-1-yl)-2-(2,6-dichlorophenyl)sulfanylethanone
CID 112778036
1'-(2-thiophen-2-yloxyacetyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 69254533
2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 154879377
N,N-dimethyl-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxamide
CID 97449354
1'-(3-chlorobenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53176932
1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one
CID 3042076

Frequently Asked Questions

What is the IUPAC name of 1'-[2-(2,6-dichlorophenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[2-(2,6-dichlorophenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one (CID 59862912) is 1'-[2-(2,6-dichlorophenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[2-(2,6-dichlorophenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[2-(2,6-dichlorophenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one is O=C(CSc1c(Cl)cccc1Cl)N1CCC2(CC1)C(=O)Nc1ccccc12.
What is the InChIKey of 1'-[2-(2,6-dichlorophenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is VNURBCYOYZUEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O2S/c21-14-5-3-6-15(22)18(14)27-12-17(25)24-10-8-20(9-11-24)13-4-1-2-7-16(13)23-19(20)26/h1-7H,8-12H2,(H,23,26).
What are the key properties of 1'-[2-(2,6-dichlorophenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one?
1'-[2-(2,6-dichlorophenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 421.35 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(2,6-dichlorophenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 59862912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).