(3S)-5-methoxy-1'-(4-methoxyphenyl)sulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one

C19H20N2O5S — CID 95103788

IUPAC(3S)-5-methoxy-1'-(4-methoxyphenyl)sulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc(S(=O)(=O)N2CC[C@]3(C2)C(=O)Nc2ccc(OC)cc23)cc1
InChIInChI=1S/C19H20N2O5S/c1-25-13-3-6-15(7-4-13)27(23,24)21-10-9-19(12-21)16-11-14(26-2)5-8-17(16)20-18(19)22/h3-8,11H,9-10,12H2,1-2H3,(H,20,22)/t19-/m1/s1
InChIKeyNIZZEKBRNCNOFX-LJQANCHMSA-N
MW388.45 g/mol
LogP1.99
Rot. Bonds4

About (3S)-5-methoxy-1'-(4-methoxyphenyl)sulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one

(3S)-5-methoxy-1'-(4-methoxyphenyl)sulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 95103788) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is (3S)-5-methoxy-1'-(4-methoxyphenyl)sulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(3S)-5-methoxy-1'-(4-methoxyphenyl)sulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID95103788
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC Name(3S)-5-methoxy-1'-(4-methoxyphenyl)sulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc(S(=O)(=O)N2CC[C@]3(C2)C(=O)Nc2ccc(OC)cc23)cc1
InChIInChI=1S/C19H20N2O5S/c1-25-13-3-6-15(7-4-13)27(23,24)21-10-9-19(12-21)16-11-14(26-2)5-8-17(16)20-18(19)22/h3-8,11H,9-10,12H2,1-2H3,(H,20,22)/t19-/m1/s1
InChIKeyNIZZEKBRNCNOFX-LJQANCHMSA-N
XLogP1.99
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(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
1'-(3,4-dimethoxyphenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53177075
(3R)-1'-(3,4-dimethoxyphenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103798
(3R)-1'-(4-chlorophenyl)sulfonyl-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95104183
5-methoxy-N-(4-methoxyphenyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 53177101
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
5-methoxy-1'-[3-(4-methoxyphenyl)propanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53177050
(3S)-1'-[2-(2-chloro-4-methoxyphenyl)acetyl]-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103769
4-(2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)sulfonylbenzonitrile
CID 53176982

Frequently Asked Questions

What is the IUPAC name of (3S)-5-methoxy-1'-(4-methoxyphenyl)sulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (3S)-5-methoxy-1'-(4-methoxyphenyl)sulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 95103788) is (3S)-5-methoxy-1'-(4-methoxyphenyl)sulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (3S)-5-methoxy-1'-(4-methoxyphenyl)sulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (3S)-5-methoxy-1'-(4-methoxyphenyl)sulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one is COc1ccc(S(=O)(=O)N2CC[C@]3(C2)C(=O)Nc2ccc(OC)cc23)cc1.
What is the InChIKey of (3S)-5-methoxy-1'-(4-methoxyphenyl)sulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is NIZZEKBRNCNOFX-LJQANCHMSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-25-13-3-6-15(7-4-13)27(23,24)21-10-9-19(12-21)16-11-14(26-2)5-8-17(16)20-18(19)22/h3-8,11H,9-10,12H2,1-2H3,(H,20,22)/t19-/m1/s1.
What are the key properties of (3S)-5-methoxy-1'-(4-methoxyphenyl)sulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
(3S)-5-methoxy-1'-(4-methoxyphenyl)sulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 388.45 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-methoxy-1'-(4-methoxyphenyl)sulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 95103788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).