1-(2-methoxyethyl)-4-(4-methoxyphenyl)imino-3-phenyl-5-sulfanylidenepyrrolidin-2-one

C20H20N2O3S — CID 91558880

IUPAC1-(2-methoxyethyl)-4-(4-methoxyphenyl)imino-3-phenyl-5-sulfanylidenepyrrolidin-2-one
SMILESCOCCN1C(=O)C(c2ccccc2)/C(=N/c2ccc(OC)cc2)C1=S
InChIInChI=1S/C20H20N2O3S/c1-24-13-12-22-19(23)17(14-6-4-3-5-7-14)18(20(22)26)21-15-8-10-16(25-2)11-9-15/h3-11,17H,12-13H2,1-2H3/b21-18-
InChIKeyCVCZBMKTXWJWAS-UZYVYHOESA-N
MW368.46 g/mol
LogP3.37
Rot. Bonds6

About 1-(2-methoxyethyl)-4-(4-methoxyphenyl)imino-3-phenyl-5-sulfanylidenepyrrolidin-2-one

1-(2-methoxyethyl)-4-(4-methoxyphenyl)imino-3-phenyl-5-sulfanylidenepyrrolidin-2-one (PubChem CID 91558880) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-(4-methoxyphenyl)imino-3-phenyl-5-sulfanylidenepyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-(4-methoxyphenyl)imino-3-phenyl-5-sulfanylidenepyrrolidin-2-one
PubChem CID91558880
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name1-(2-methoxyethyl)-4-(4-methoxyphenyl)imino-3-phenyl-5-sulfanylidenepyrrolidin-2-one
SMILESCOCCN1C(=O)C(c2ccccc2)/C(=N/c2ccc(OC)cc2)C1=S
InChIInChI=1S/C20H20N2O3S/c1-24-13-12-22-19(23)17(14-6-4-3-5-7-14)18(20(22)26)21-15-8-10-16(25-2)11-9-15/h3-11,17H,12-13H2,1-2H3/b21-18-
InChIKeyCVCZBMKTXWJWAS-UZYVYHOESA-N
XLogP3.37
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-(2-methoxyethyl)-4-(4-methoxyphenyl)imino-3-phenyl-5-sulfanylidenepyrrolidin-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

Related Compounds

1-[(6-amino-3-pyridinyl)methyl]-3-(4-methoxyphenyl)imino-4-phenylpyrrolidine-2,5-dione
CID 91284009
(2S)-2-(4-methoxyphenyl)-3-phenyliminoinden-1-one
CID 124542757
3-(4-bromophenyl)imino-2-(4-methoxyphenyl)inden-1-one
CID 2847560
(3R,4S)-1,4-bis(4-methoxyphenyl)-3-phenylazetidin-2-one
CID 101388237
1-(2-methoxyethyl)-3-(4-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110556427
(5E)-5-[(2,7-dimethoxynaphthalen-1-yl)methylidene]-3-(2-methoxyethyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 19574986
N-(2,3-dichlorophenyl)-2-[3-(2-methoxyethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 46802747
(15R,19R)-17-(2-methoxyethyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 2049049
3-(2-methoxyethyl)-4-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine
CID 8715499
(3S,4R)-3-(2-chloroethyl)-1-(2-methoxyethyl)-4-phenylazetidin-2-one
CID 46856404
(3R)-1-(2-methoxyethyl)-8-[(4-methoxyphenyl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97383981
3-(2-methoxyethyl)-2-(4-methoxyphenyl)imino-5-[(1-propan-2-ylindol-3-yl)methylidene]-1,3-thiazolidin-4-one
CID 5194412

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-(4-methoxyphenyl)imino-3-phenyl-5-sulfanylidenepyrrolidin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-4-(4-methoxyphenyl)imino-3-phenyl-5-sulfanylidenepyrrolidin-2-one (CID 91558880) is 1-(2-methoxyethyl)-4-(4-methoxyphenyl)imino-3-phenyl-5-sulfanylidenepyrrolidin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-4-(4-methoxyphenyl)imino-3-phenyl-5-sulfanylidenepyrrolidin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-4-(4-methoxyphenyl)imino-3-phenyl-5-sulfanylidenepyrrolidin-2-one is COCCN1C(=O)C(c2ccccc2)/C(=N/c2ccc(OC)cc2)C1=S.
What is the InChIKey of 1-(2-methoxyethyl)-4-(4-methoxyphenyl)imino-3-phenyl-5-sulfanylidenepyrrolidin-2-one?
The InChIKey is CVCZBMKTXWJWAS-UZYVYHOESA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-24-13-12-22-19(23)17(14-6-4-3-5-7-14)18(20(22)26)21-15-8-10-16(25-2)11-9-15/h3-11,17H,12-13H2,1-2H3/b21-18-.
What are the key properties of 1-(2-methoxyethyl)-4-(4-methoxyphenyl)imino-3-phenyl-5-sulfanylidenepyrrolidin-2-one?
1-(2-methoxyethyl)-4-(4-methoxyphenyl)imino-3-phenyl-5-sulfanylidenepyrrolidin-2-one has a molecular weight of 368.46 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-(4-methoxyphenyl)imino-3-phenyl-5-sulfanylidenepyrrolidin-2-one is sourced from PubChem (CID 91558880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).