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

C19H20N2O4S — CID 95103783

IUPAC(3R)-5-methoxy-1'-(4-methylphenyl)sulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc2c(c1)[C@@]1(CCN(S(=O)(=O)c3ccc(C)cc3)C1)C(=O)N2
InChIInChI=1S/C19H20N2O4S/c1-13-3-6-15(7-4-13)26(23,24)21-10-9-19(12-21)16-11-14(25-2)5-8-17(16)20-18(19)22/h3-8,11H,9-10,12H2,1-2H3,(H,20,22)/t19-/m0/s1
InChIKeyYTHUWNKXAXPRPE-IBGZPJMESA-N
MW372.45 g/mol
LogP2.29
Rot. Bonds3

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

(3R)-5-methoxy-1'-(4-methylphenyl)sulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 95103783) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is (3R)-5-methoxy-1'-(4-methylphenyl)sulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(3R)-5-methoxy-1'-(4-methylphenyl)sulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID95103783
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name(3R)-5-methoxy-1'-(4-methylphenyl)sulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc2c(c1)[C@@]1(CCN(S(=O)(=O)c3ccc(C)cc3)C1)C(=O)N2
InChIInChI=1S/C19H20N2O4S/c1-13-3-6-15(7-4-13)26(23,24)21-10-9-19(12-21)16-11-14(25-2)5-8-17(16)20-18(19)22/h3-8,11H,9-10,12H2,1-2H3,(H,20,22)/t19-/m0/s1
InChIKeyYTHUWNKXAXPRPE-IBGZPJMESA-N
XLogP2.29
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-5-methoxy-1'-(4-methylphenyl)sulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-5-methoxy-1'-(4-methylphenyl)sulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (3R)-5-methoxy-1'-(4-methylphenyl)sulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 95103783) is (3R)-5-methoxy-1'-(4-methylphenyl)sulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (3R)-5-methoxy-1'-(4-methylphenyl)sulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (3R)-5-methoxy-1'-(4-methylphenyl)sulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one is COc1ccc2c(c1)[C@@]1(CCN(S(=O)(=O)c3ccc(C)cc3)C1)C(=O)N2.
What is the InChIKey of (3R)-5-methoxy-1'-(4-methylphenyl)sulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is YTHUWNKXAXPRPE-IBGZPJMESA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-13-3-6-15(7-4-13)26(23,24)21-10-9-19(12-21)16-11-14(25-2)5-8-17(16)20-18(19)22/h3-8,11H,9-10,12H2,1-2H3,(H,20,22)/t19-/m0/s1.
What are the key properties of (3R)-5-methoxy-1'-(4-methylphenyl)sulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
(3R)-5-methoxy-1'-(4-methylphenyl)sulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 372.45 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-methoxy-1'-(4-methylphenyl)sulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 95103783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).