(2'S,3R)-1'-(3-methylsulfonylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one

C22H24N2O4S — CID 166622386

IUPAC(2'S,3R)-1'-(3-methylsulfonylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCCC[C@@H]1N(C(=O)c2cccc(S(C)(=O)=O)c2)CC[C@]12C(=O)Nc1ccccc12
InChIInChI=1S/C22H24N2O4S/c1-3-7-19-22(17-10-4-5-11-18(17)23-21(22)26)12-13-24(19)20(25)15-8-6-9-16(14-15)29(2,27)28/h4-6,8-11,14,19H,3,7,12-13H2,1-2H3,(H,23,26)/t19-,22+/m0/s1
InChIKeyOHLVEAGLOUDRLZ-SIKLNZKXSA-N
MW412.51 g/mol
LogP2.99
Rot. Bonds4

About (2'S,3R)-1'-(3-methylsulfonylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one

(2'S,3R)-1'-(3-methylsulfonylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 166622386) has the molecular formula C22H24N2O4S and a molecular weight of 412.51 g/mol. Its IUPAC name is (2'S,3R)-1'-(3-methylsulfonylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(2'S,3R)-1'-(3-methylsulfonylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID166622386
Molecular FormulaC22H24N2O4S
Molecular Weight412.51 g/mol
Exact Mass412.15
IUPAC Name(2'S,3R)-1'-(3-methylsulfonylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCCC[C@@H]1N(C(=O)c2cccc(S(C)(=O)=O)c2)CC[C@]12C(=O)Nc1ccccc12
InChIInChI=1S/C22H24N2O4S/c1-3-7-19-22(17-10-4-5-11-18(17)23-21(22)26)12-13-24(19)20(25)15-8-6-9-16(14-15)29(2,27)28/h4-6,8-11,14,19H,3,7,12-13H2,1-2H3,(H,23,26)/t19-,22+/m0/s1
InChIKeyOHLVEAGLOUDRLZ-SIKLNZKXSA-N
XLogP2.99
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2'S,3R)-1'-(1-methyl-2-oxopyridine-4-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166616803
(2'S,3S)-1'-(2-methylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 165423546
(2'S,3R)-1'-(1-ethylpyrazole-4-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166619328
(2'S,3R)-1'-(2-methylpyridine-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 165427079
(2'S,3R)-1'-(2,3-difluoro-6-methoxybenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615210
(2'S,3R)-1'-(5-fluoropyridine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166613101
(2'S,3S)-1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 165427134
(2'S,3S)-1'-(4-methoxypyridine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615299
(2'S,3S)-1'-(4-hydroxycyclohexanecarbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166618240
(2'S,3S)-1'-(6-oxo-2-propan-2-yl-1H-pyridine-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166616559
(2'S,3R)-1'-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166613451
(2'S,3R)-1'-(3,5-dimethyl-1-propan-2-ylpyrazole-4-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166616899

Frequently Asked Questions

What is the IUPAC name of (2'S,3R)-1'-(3-methylsulfonylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (2'S,3R)-1'-(3-methylsulfonylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 166622386) is (2'S,3R)-1'-(3-methylsulfonylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (2'S,3R)-1'-(3-methylsulfonylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (2'S,3R)-1'-(3-methylsulfonylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one is CCC[C@@H]1N(C(=O)c2cccc(S(C)(=O)=O)c2)CC[C@]12C(=O)Nc1ccccc12.
What is the InChIKey of (2'S,3R)-1'-(3-methylsulfonylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is OHLVEAGLOUDRLZ-SIKLNZKXSA-N. The full InChI is InChI=1S/C22H24N2O4S/c1-3-7-19-22(17-10-4-5-11-18(17)23-21(22)26)12-13-24(19)20(25)15-8-6-9-16(14-15)29(2,27)28/h4-6,8-11,14,19H,3,7,12-13H2,1-2H3,(H,23,26)/t19-,22+/m0/s1.
What are the key properties of (2'S,3R)-1'-(3-methylsulfonylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
(2'S,3R)-1'-(3-methylsulfonylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 412.51 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'S,3R)-1'-(3-methylsulfonylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 166622386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).