3-[3-[4-[(4-methoxyphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidine-2,5-dione;3-[3-[4-[(2-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidine-2,5-dione;3-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidine-2,5-dione

C66H57N3O13S3 — CID 157087177

IUPAC3-[3-[4-[(4-methoxyphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidine-2,5-dione;3-[3-[4-[(2-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidine-2,5-dione;3-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidine-2,5-dione
SMILESCOc1ccc(COc2ccc(Sc3ccoc3C3CC(=O)NC3=O)cc2)cc1.Cc1cccc(COc2ccc(Sc3ccoc3C3CC(=O)NC3=O)cc2)c1.Cc1ccccc1COc1ccc(Sc2ccoc2C2CC(=O)NC2=O)cc1
InChIInChI=1S/C22H19NO5S.2C22H19NO4S/c1-26-15-4-2-14(3-5-15)13-28-16-6-8-17(9-7-16)29-19-10-11-27-21(19)18-12-20(24)23-22(18)25;1-14-3-2-4-15(11-14)13-27-16-5-7-17(8-6-16)28-19-9-10-26-21(19)18-12-20(24)23-22(18)25;1-14-4-2-3-5-15(14)13-27-16-6-8-17(9-7-16)28-19-10-11-26-21(19)18-12-20(24)23-22(18)25/h2-11,18H,12-13H2,1H3,(H,23,24,25);2*2-11,18H,12-13H2,1H3,(H,23,24,25)
InChIKeyAEFLTQQCFQVSCT-UHFFFAOYSA-N
MW1196.39 g/mol
LogP13.05
Rot. Bonds19

About 3-[3-[4-[(4-methoxyphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidine-2,5-dione;3-[3-[4-[(2-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidine-2,5-dione;3-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidine-2,5-dione

3-[3-[4-[(4-methoxyphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidine-2,5-dione;3-[3-[4-[(2-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidine-2,5-dione;3-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidine-2,5-dione (PubChem CID 157087177) has the molecular formula C66H57N3O13S3 and a molecular weight of 1196.39 g/mol. Its IUPAC name is 3-[3-[4-[(4-methoxyphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidine-2,5-dione;3-[3-[4-[(2-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidine-2,5-dione;3-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[3-[4-[(4-methoxyphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidine-2,5-dione;3-[3-[4-[(2-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidine-2,5-dione;3-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidine-2,5-dione
PubChem CID157087177
Molecular FormulaC66H57N3O13S3
Molecular Weight1196.39 g/mol
Exact Mass1195.31
IUPAC Name3-[3-[4-[(4-methoxyphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidine-2,5-dione;3-[3-[4-[(2-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidine-2,5-dione;3-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidine-2,5-dione
SMILESCOc1ccc(COc2ccc(Sc3ccoc3C3CC(=O)NC3=O)cc2)cc1.Cc1cccc(COc2ccc(Sc3ccoc3C3CC(=O)NC3=O)cc2)c1.Cc1ccccc1COc1ccc(Sc2ccoc2C2CC(=O)NC2=O)cc1
InChIInChI=1S/C22H19NO5S.2C22H19NO4S/c1-26-15-4-2-14(3-5-15)13-28-16-6-8-17(9-7-16)29-19-10-11-27-21(19)18-12-20(24)23-22(18)25;1-14-3-2-4-15(11-14)13-27-16-5-7-17(8-6-16)28-19-9-10-26-21(19)18-12-20(24)23-22(18)25;1-14-4-2-3-5-15(14)13-27-16-6-8-17(9-7-16)28-19-10-11-26-21(19)18-12-20(24)23-22(18)25/h2-11,18H,12-13H2,1H3,(H,23,24,25);2*2-11,18H,12-13H2,1H3,(H,23,24,25)
InChIKeyAEFLTQQCFQVSCT-UHFFFAOYSA-N
XLogP13.05
TPSA214.85 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds19
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001196.39
LogP ≤ 513.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[3-[4-[(4-methoxyphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidine-2,5-dione;3-[3-[4-[(2-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidine-2,5-dione;3-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidine-2,5-dione with MolForge

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Related Compounds

5-methylidene-3-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidin-2-one
CID 160828564
3-[3-[4-[(3-chlorophenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidine-2,5-dione
CID 160512892
5-[3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione
CID 67176968
5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1-oxidopyridin-1-ium-3-yl]imidazolidine-2,4-dione
CID 176509444
5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione
CID 146263059
1-methyl-3-[[4-[[4-[(3-methylphenyl)methoxy]phenyl]disulfanyl]phenoxy]methyl]benzene
CID 146262404
1-methyl-4-[2-(4-methylphenoxy)ethoxymethyl]benzene;1-methyl-4-[(4-methylphenoxy)methyl]benzene;1-methyl-2-[2-(4-methylphenyl)ethoxymethyl]benzene;1-methyl-3-[(3-methylphenyl)methoxymethyl]benzene;1-methyl-3-[(4-methylphenyl)methoxymethyl]benzene
CID 161254138
(5S)-5-[4-[(3-methylphenyl)methoxy]phenyl]-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 136767556
(5R)-2-amino-5-[4-[(3-methylphenyl)methoxy]phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 136909874
(7R)-7-[4-[(3-methylphenyl)methoxy]phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 137094260
1-methyl-2-[(3-methylphenoxy)methyl]benzene
CID 60627935
5-[4-[4-[(3-methylphenoxy)methyl]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione
CID 146263009

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[(4-methoxyphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidine-2,5-dione;3-[3-[4-[(2-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidine-2,5-dione;3-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidine-2,5-dione?
The IUPAC name of 3-[3-[4-[(4-methoxyphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidine-2,5-dione;3-[3-[4-[(2-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidine-2,5-dione;3-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidine-2,5-dione (CID 157087177) is 3-[3-[4-[(4-methoxyphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidine-2,5-dione;3-[3-[4-[(2-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidine-2,5-dione;3-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[3-[4-[(4-methoxyphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidine-2,5-dione;3-[3-[4-[(2-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidine-2,5-dione;3-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[3-[4-[(4-methoxyphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidine-2,5-dione;3-[3-[4-[(2-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidine-2,5-dione;3-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidine-2,5-dione is COc1ccc(COc2ccc(Sc3ccoc3C3CC(=O)NC3=O)cc2)cc1.Cc1cccc(COc2ccc(Sc3ccoc3C3CC(=O)NC3=O)cc2)c1.Cc1ccccc1COc1ccc(Sc2ccoc2C2CC(=O)NC2=O)cc1.
What is the InChIKey of 3-[3-[4-[(4-methoxyphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidine-2,5-dione;3-[3-[4-[(2-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidine-2,5-dione;3-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidine-2,5-dione?
The InChIKey is AEFLTQQCFQVSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO5S.2C22H19NO4S/c1-26-15-4-2-14(3-5-15)13-28-16-6-8-17(9-7-16)29-19-10-11-27-21(19)18-12-20(24)23-22(18)25;1-14-3-2-4-15(11-14)13-27-16-5-7-17(8-6-16)28-19-9-10-26-21(19)18-12-20(24)23-22(18)25;1-14-4-2-3-5-15(14)13-27-16-6-8-17(9-7-16)28-19-10-11-26-21(19)18-12-20(24)23-22(18)25/h2-11,18H,12-13H2,1H3,(H,23,24,25);2*2-11,18H,12-13H2,1H3,(H,23,24,25).
What are the key properties of 3-[3-[4-[(4-methoxyphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidine-2,5-dione;3-[3-[4-[(2-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidine-2,5-dione;3-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidine-2,5-dione?
3-[3-[4-[(4-methoxyphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidine-2,5-dione;3-[3-[4-[(2-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidine-2,5-dione;3-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidine-2,5-dione has a molecular weight of 1196.39 g/mol, XLogP of 13.05, 19 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-[(4-methoxyphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidine-2,5-dione;3-[3-[4-[(2-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidine-2,5-dione;3-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 157087177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).