5-methylidene-3-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidin-2-one

C23H21NO3S — CID 160828564

IUPAC5-methylidene-3-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidin-2-one
SMILESC=C1CC(c2occc2Sc2ccc(OCc3cccc(C)c3)cc2)C(=O)N1
InChIInChI=1S/C23H21NO3S/c1-15-4-3-5-17(12-15)14-27-18-6-8-19(9-7-18)28-21-10-11-26-22(21)20-13-16(2)24-23(20)25/h3-12,20H,2,13-14H2,1H3,(H,24,25)
InChIKeyVPJJUFRUMKYWQT-UHFFFAOYSA-N
MW391.49 g/mol
LogP5.44
Rot. Bonds6

About 5-methylidene-3-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidin-2-one

5-methylidene-3-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidin-2-one (PubChem CID 160828564) has the molecular formula C23H21NO3S and a molecular weight of 391.49 g/mol. Its IUPAC name is 5-methylidene-3-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-methylidene-3-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidin-2-one
PubChem CID160828564
Molecular FormulaC23H21NO3S
Molecular Weight391.49 g/mol
Exact Mass391.12
IUPAC Name5-methylidene-3-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidin-2-one
SMILESC=C1CC(c2occc2Sc2ccc(OCc3cccc(C)c3)cc2)C(=O)N1
InChIInChI=1S/C23H21NO3S/c1-15-4-3-5-17(12-15)14-27-18-6-8-19(9-7-18)28-21-10-11-26-22(21)20-13-16(2)24-23(20)25/h3-12,20H,2,13-14H2,1H3,(H,24,25)
InChIKeyVPJJUFRUMKYWQT-UHFFFAOYSA-N
XLogP5.44
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.49
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
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
3,3,6,6-tetramethyl-9-[4-[(3-methylphenyl)methoxy]phenyl]-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
CID 2297178
5-[4-[4-[(3-methylphenoxy)methyl]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione
CID 146263009
5-[3-[4-[[3-(hydroxymethyl)phenyl]methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione
CID 146263079
2-chloro-1-[4-[(3-methylphenyl)methoxy]phenyl]propan-1-one
CID 82051803
(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

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-3-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidin-2-one?
The IUPAC name of 5-methylidene-3-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidin-2-one (CID 160828564) is 5-methylidene-3-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 5-methylidene-3-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidin-2-one?
The canonical SMILES for 5-methylidene-3-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidin-2-one is C=C1CC(c2occc2Sc2ccc(OCc3cccc(C)c3)cc2)C(=O)N1.
What is the InChIKey of 5-methylidene-3-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidin-2-one?
The InChIKey is VPJJUFRUMKYWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3S/c1-15-4-3-5-17(12-15)14-27-18-6-8-19(9-7-18)28-21-10-11-26-22(21)20-13-16(2)24-23(20)25/h3-12,20H,2,13-14H2,1H3,(H,24,25).
What are the key properties of 5-methylidene-3-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidin-2-one?
5-methylidene-3-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidin-2-one has a molecular weight of 391.49 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-3-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 160828564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).