1-[5-methoxy-2-[4-methoxy-2-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]sulfanylphenyl]-3-methylpyrrole-2,5-dione

C24H20N2O6S — CID 54133194

IUPAC1-[5-methoxy-2-[4-methoxy-2-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]sulfanylphenyl]-3-methylpyrrole-2,5-dione
SMILESCOc1ccc(Sc2ccc(OC)cc2N2C(=O)C=C(C)C2=O)c(N2C(=O)C=C(C)C2=O)c1
InChIInChI=1S/C24H20N2O6S/c1-13-9-21(27)25(23(13)29)17-11-15(31-3)5-7-19(17)33-20-8-6-16(32-4)12-18(20)26-22(28)10-14(2)24(26)30/h5-12H,1-4H3
InChIKeyNVUQUIZYQOMKHU-UHFFFAOYSA-N
MW464.50 g/mol
LogP3.49
Rot. Bonds6

About 1-[5-methoxy-2-[4-methoxy-2-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]sulfanylphenyl]-3-methylpyrrole-2,5-dione

1-[5-methoxy-2-[4-methoxy-2-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]sulfanylphenyl]-3-methylpyrrole-2,5-dione (PubChem CID 54133194) has the molecular formula C24H20N2O6S and a molecular weight of 464.50 g/mol. Its IUPAC name is 1-[5-methoxy-2-[4-methoxy-2-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]sulfanylphenyl]-3-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-[5-methoxy-2-[4-methoxy-2-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]sulfanylphenyl]-3-methylpyrrole-2,5-dione
PubChem CID54133194
Molecular FormulaC24H20N2O6S
Molecular Weight464.50 g/mol
Exact Mass464.10
IUPAC Name1-[5-methoxy-2-[4-methoxy-2-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]sulfanylphenyl]-3-methylpyrrole-2,5-dione
SMILESCOc1ccc(Sc2ccc(OC)cc2N2C(=O)C=C(C)C2=O)c(N2C(=O)C=C(C)C2=O)c1
InChIInChI=1S/C24H20N2O6S/c1-13-9-21(27)25(23(13)29)17-11-15(31-3)5-7-19(17)33-20-8-6-16(32-4)12-18(20)26-22(28)10-14(2)24(26)30/h5-12H,1-4H3
InChIKeyNVUQUIZYQOMKHU-UHFFFAOYSA-N
XLogP3.49
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-2-(3-methyl-2,5-dioxopyrrol-1-yl)benzoic acid
CID 115411271
1-(3-methoxyphenyl)-3-methylpyrrole-2,5-dione
CID 880984
1-(2-methoxy-5-methylphenyl)-3-methylpyrrole-2,5-dione
CID 43090977
1-[5-(2,5-dioxopyrrol-1-yl)-2,4-dimethylphenyl]-3-methylpyrrole-2,5-dione
CID 67326354
(2E)-2-[1-(2,5-dimethoxyphenyl)-3-methyl-5-oxopyrrol-2-ylidene]acetonitrile
CID 5358242
1-(4-bromo-2-fluorophenyl)-3-methylpyrrole-2,5-dione
CID 43236226
1-(3-fluoro-4-pyridinyl)-3-methylpyrrole-2,5-dione
CID 107595185
3-(3-methyl-2,5-dioxopyrrol-1-yl)thiophene-2-carboxylic acid
CID 43345970
3-methyl-1-(4-methyl-3-pyridinyl)pyrrole-2,5-dione
CID 63327823
2-(3-methyl-2,5-dioxopyrrol-1-yl)benzonitrile
CID 43236196
3-methyl-1-[4-[4-[3-[4-[4-(3-methyl-2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propyl]phenoxy]phenyl]pyrrole-2,5-dione
CID 158317296
1-(2-bromo-3-chlorophenyl)-3-methylpyrrole-2,5-dione
CID 103480245

Frequently Asked Questions

What is the IUPAC name of 1-[5-methoxy-2-[4-methoxy-2-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]sulfanylphenyl]-3-methylpyrrole-2,5-dione?
The IUPAC name of 1-[5-methoxy-2-[4-methoxy-2-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]sulfanylphenyl]-3-methylpyrrole-2,5-dione (CID 54133194) is 1-[5-methoxy-2-[4-methoxy-2-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]sulfanylphenyl]-3-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-[5-methoxy-2-[4-methoxy-2-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]sulfanylphenyl]-3-methylpyrrole-2,5-dione?
The canonical SMILES for 1-[5-methoxy-2-[4-methoxy-2-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]sulfanylphenyl]-3-methylpyrrole-2,5-dione is COc1ccc(Sc2ccc(OC)cc2N2C(=O)C=C(C)C2=O)c(N2C(=O)C=C(C)C2=O)c1.
What is the InChIKey of 1-[5-methoxy-2-[4-methoxy-2-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]sulfanylphenyl]-3-methylpyrrole-2,5-dione?
The InChIKey is NVUQUIZYQOMKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O6S/c1-13-9-21(27)25(23(13)29)17-11-15(31-3)5-7-19(17)33-20-8-6-16(32-4)12-18(20)26-22(28)10-14(2)24(26)30/h5-12H,1-4H3.
What are the key properties of 1-[5-methoxy-2-[4-methoxy-2-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]sulfanylphenyl]-3-methylpyrrole-2,5-dione?
1-[5-methoxy-2-[4-methoxy-2-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]sulfanylphenyl]-3-methylpyrrole-2,5-dione has a molecular weight of 464.50 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methoxy-2-[4-methoxy-2-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]sulfanylphenyl]-3-methylpyrrole-2,5-dione is sourced from PubChem (CID 54133194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).