1'-(3,4-dimethoxyphenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one

C20H22N2O6S — CID 53177075

IUPAC1'-(3,4-dimethoxyphenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc2c(c1)C1(CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)C1)C(=O)N2
InChIInChI=1S/C20H22N2O6S/c1-26-13-4-6-16-15(10-13)20(19(23)21-16)8-9-22(12-20)29(24,25)14-5-7-17(27-2)18(11-14)28-3/h4-7,10-11H,8-9,12H2,1-3H3,(H,21,23)
InChIKeyKAFUECQQSSXFRK-UHFFFAOYSA-N
MW418.47 g/mol
LogP2.00
Rot. Bonds5

About 1'-(3,4-dimethoxyphenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one

1'-(3,4-dimethoxyphenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 53177075) has the molecular formula C20H22N2O6S and a molecular weight of 418.47 g/mol. Its IUPAC name is 1'-(3,4-dimethoxyphenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-(3,4-dimethoxyphenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID53177075
Molecular FormulaC20H22N2O6S
Molecular Weight418.47 g/mol
Exact Mass418.12
IUPAC Name1'-(3,4-dimethoxyphenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc2c(c1)C1(CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)C1)C(=O)N2
InChIInChI=1S/C20H22N2O6S/c1-26-13-4-6-16-15(10-13)20(19(23)21-16)8-9-22(12-20)29(24,25)14-5-7-17(27-2)18(11-14)28-3/h4-7,10-11H,8-9,12H2,1-3H3,(H,21,23)
InChIKeyKAFUECQQSSXFRK-UHFFFAOYSA-N
XLogP2.00
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1'-(3,4-dimethoxyphenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103798
(3S)-5-methoxy-1'-(4-methoxyphenyl)sulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103788
(3S)-1'-(4-fluorophenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103781
(3R)-5-methoxy-1'-(4-methylphenyl)sulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103783
(3R)-1'-(4-chlorophenyl)sulfonyl-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95104183
1-(2,4-dimethoxyphenyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine
CID 5000474
1'-[2-(3-chloro-4-methoxyphenyl)acetyl]-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53177058
8-(3,4-dimethoxyphenyl)sulfonyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 16826034
5-methoxy-1-methyl-1'-(3-methylphenyl)sulfonylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177296
N-[4-[(3R)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]sulfonylphenyl]acetamide
CID 95104191
tert-butyl (3S)-5-methoxy-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 124706343
tert-butyl (3R)-5-methoxy-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 124706344

Frequently Asked Questions

What is the IUPAC name of 1'-(3,4-dimethoxyphenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-(3,4-dimethoxyphenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 53177075) is 1'-(3,4-dimethoxyphenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-(3,4-dimethoxyphenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-(3,4-dimethoxyphenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one is COc1ccc2c(c1)C1(CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)C1)C(=O)N2.
What is the InChIKey of 1'-(3,4-dimethoxyphenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is KAFUECQQSSXFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6S/c1-26-13-4-6-16-15(10-13)20(19(23)21-16)8-9-22(12-20)29(24,25)14-5-7-17(27-2)18(11-14)28-3/h4-7,10-11H,8-9,12H2,1-3H3,(H,21,23).
What are the key properties of 1'-(3,4-dimethoxyphenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one?
1'-(3,4-dimethoxyphenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 418.47 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3,4-dimethoxyphenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 53177075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).