1'-[4-(3-methylphenoxy)phenyl]sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one

C25H23NO5S — CID 90586336

IUPAC1'-[4-(3-methylphenoxy)phenyl]sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESCc1cccc(Oc2ccc(S(=O)(=O)N3CCC4(CC(=O)c5ccccc5O4)C3)cc2)c1
InChIInChI=1S/C25H23NO5S/c1-18-5-4-6-20(15-18)30-19-9-11-21(12-10-19)32(28,29)26-14-13-25(17-26)16-23(27)22-7-2-3-8-24(22)31-25/h2-12,15H,13-14,16-17H2,1H3
InChIKeyJRMOYHKFTHGQCA-UHFFFAOYSA-N
MW449.53 g/mol
LogP4.59
Rot. Bonds4

About 1'-[4-(3-methylphenoxy)phenyl]sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one

1'-[4-(3-methylphenoxy)phenyl]sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one (PubChem CID 90586336) has the molecular formula C25H23NO5S and a molecular weight of 449.53 g/mol. Its IUPAC name is 1'-[4-(3-methylphenoxy)phenyl]sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one.

Molecular Properties

Compound Name1'-[4-(3-methylphenoxy)phenyl]sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
PubChem CID90586336
Molecular FormulaC25H23NO5S
Molecular Weight449.53 g/mol
Exact Mass449.13
IUPAC Name1'-[4-(3-methylphenoxy)phenyl]sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESCc1cccc(Oc2ccc(S(=O)(=O)N3CCC4(CC(=O)c5ccccc5O4)C3)cc2)c1
InChIInChI=1S/C25H23NO5S/c1-18-5-4-6-20(15-18)30-19-9-11-21(12-10-19)32(28,29)26-14-13-25(17-26)16-23(27)22-7-2-3-8-24(22)31-25/h2-12,15H,13-14,16-17H2,1H3
InChIKeyJRMOYHKFTHGQCA-UHFFFAOYSA-N
XLogP4.59
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1'-[4-(3-methylphenoxy)phenyl]sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-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 1'-[4-(3-methylphenoxy)phenyl]sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The IUPAC name of 1'-[4-(3-methylphenoxy)phenyl]sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one (CID 90586336) is 1'-[4-(3-methylphenoxy)phenyl]sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one.
What is the SMILES notation for 1'-[4-(3-methylphenoxy)phenyl]sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The canonical SMILES for 1'-[4-(3-methylphenoxy)phenyl]sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one is Cc1cccc(Oc2ccc(S(=O)(=O)N3CCC4(CC(=O)c5ccccc5O4)C3)cc2)c1.
What is the InChIKey of 1'-[4-(3-methylphenoxy)phenyl]sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The InChIKey is JRMOYHKFTHGQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO5S/c1-18-5-4-6-20(15-18)30-19-9-11-21(12-10-19)32(28,29)26-14-13-25(17-26)16-23(27)22-7-2-3-8-24(22)31-25/h2-12,15H,13-14,16-17H2,1H3.
What are the key properties of 1'-[4-(3-methylphenoxy)phenyl]sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one?
1'-[4-(3-methylphenoxy)phenyl]sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one has a molecular weight of 449.53 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[4-(3-methylphenoxy)phenyl]sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one is sourced from PubChem (CID 90586336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).