(2'S,3R)-2'-(3-methoxyphenyl)-1'-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one

C24H23N3O3S — CID 166613597

IUPAC(2'S,3R)-2'-(3-methoxyphenyl)-1'-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCOc1cccc([C@@H]2N(C(=O)Cc3csc(C)n3)CC[C@]23C(=O)Nc2ccccc23)c1
InChIInChI=1S/C24H23N3O3S/c1-15-25-17(14-31-15)13-21(28)27-11-10-24(19-8-3-4-9-20(19)26-23(24)29)22(27)16-6-5-7-18(12-16)30-2/h3-9,12,14,22H,10-11,13H2,1-2H3,(H,26,29)/t22-,24+/m0/s1
InChIKeyLSPSSXRVJXRLNX-LADGPHEKSA-N
MW433.53 g/mol
LogP3.87
Rot. Bonds4

About (2'S,3R)-2'-(3-methoxyphenyl)-1'-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one

(2'S,3R)-2'-(3-methoxyphenyl)-1'-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 166613597) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is (2'S,3R)-2'-(3-methoxyphenyl)-1'-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(2'S,3R)-2'-(3-methoxyphenyl)-1'-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID166613597
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC Name(2'S,3R)-2'-(3-methoxyphenyl)-1'-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCOc1cccc([C@@H]2N(C(=O)Cc3csc(C)n3)CC[C@]23C(=O)Nc2ccccc23)c1
InChIInChI=1S/C24H23N3O3S/c1-15-25-17(14-31-15)13-21(28)27-11-10-24(19-8-3-4-9-20(19)26-23(24)29)22(27)16-6-5-7-18(12-16)30-2/h3-9,12,14,22H,10-11,13H2,1-2H3,(H,26,29)/t22-,24+/m0/s1
InChIKeyLSPSSXRVJXRLNX-LADGPHEKSA-N
XLogP3.87
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2'S,3R)-2'-(3-methoxyphenyl)-1'-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one with MolForge

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Related Compounds

(2'S,3R)-2'-(3-methoxyphenyl)-1'-[3-(1,2,4-triazol-4-yl)propanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166613922
(2'S,3R)-2'-(3-methoxyphenyl)-1'-(3-methylsulfonylpropanoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612858
(2'S,3R)-2'-(3-methoxyphenyl)-1'-[2-(1-methylpiperidin-4-yl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166623666
(2'S,3R)-1'-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-2'-(3-methoxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166616757
(2'S,3R)-1'-(2-ethylpyrimidine-5-carbonyl)-2'-(3-methoxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one;formic acid
CID 171324971
(3S,4R)-4-(3-methoxyphenyl)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 70777673
1'-(3-cyclopropylpropanoyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612449
(2'S,3R)-2'-phenyl-1'-(2-pyrrolidin-1-ylacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612829
(2'S,3R)-1'-(1-ethyl-5-methylpyrazole-3-carbonyl)-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166613792
5-[2-oxo-2-(2-oxo-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]-1H-pyrimidine-2,4-dione
CID 166621790
1'-(3-cyclobutylpropanoyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166623782
1'-[2-(3-methyl-2-oxoimidazolidin-1-yl)acetyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166622128

Frequently Asked Questions

What is the IUPAC name of (2'S,3R)-2'-(3-methoxyphenyl)-1'-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (2'S,3R)-2'-(3-methoxyphenyl)-1'-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 166613597) is (2'S,3R)-2'-(3-methoxyphenyl)-1'-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (2'S,3R)-2'-(3-methoxyphenyl)-1'-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (2'S,3R)-2'-(3-methoxyphenyl)-1'-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one is COc1cccc([C@@H]2N(C(=O)Cc3csc(C)n3)CC[C@]23C(=O)Nc2ccccc23)c1.
What is the InChIKey of (2'S,3R)-2'-(3-methoxyphenyl)-1'-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is LSPSSXRVJXRLNX-LADGPHEKSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-15-25-17(14-31-15)13-21(28)27-11-10-24(19-8-3-4-9-20(19)26-23(24)29)22(27)16-6-5-7-18(12-16)30-2/h3-9,12,14,22H,10-11,13H2,1-2H3,(H,26,29)/t22-,24+/m0/s1.
What are the key properties of (2'S,3R)-2'-(3-methoxyphenyl)-1'-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
(2'S,3R)-2'-(3-methoxyphenyl)-1'-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 433.53 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3R)-2'-(3-methoxyphenyl)-1'-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 166613597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).