(3Z)-3-[2-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-2-oxoethylidene]-1H-indol-2-one

C26H21NO5S — CID 177392701

IUPAC(3Z)-3-[2-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-2-oxoethylidene]-1H-indol-2-one
SMILESCOc1ccc(C(=O)CS/C(C(=O)c2ccc(OC)cc2)=C2\C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C26H21NO5S/c1-31-18-11-7-16(8-12-18)22(28)15-33-25(24(29)17-9-13-19(32-2)14-10-17)23-20-5-3-4-6-21(20)27-26(23)30/h3-14H,15H2,1-2H3,(H,27,30)/b25-23-
InChIKeyYYBRMUZVRZGMFF-BZZOAKBMSA-N
MW459.52 g/mol
LogP4.87
Rot. Bonds8

About (3Z)-3-[2-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-2-oxoethylidene]-1H-indol-2-one

(3Z)-3-[2-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-2-oxoethylidene]-1H-indol-2-one (PubChem CID 177392701) has the molecular formula C26H21NO5S and a molecular weight of 459.52 g/mol. Its IUPAC name is (3Z)-3-[2-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-2-oxoethylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[2-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-2-oxoethylidene]-1H-indol-2-one
PubChem CID177392701
Molecular FormulaC26H21NO5S
Molecular Weight459.52 g/mol
Exact Mass459.11
IUPAC Name(3Z)-3-[2-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-2-oxoethylidene]-1H-indol-2-one
SMILESCOc1ccc(C(=O)CS/C(C(=O)c2ccc(OC)cc2)=C2\C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C26H21NO5S/c1-31-18-11-7-16(8-12-18)22(28)15-33-25(24(29)17-9-13-19(32-2)14-10-17)23-20-5-3-4-6-21(20)27-26(23)30/h3-14H,15H2,1-2H3,(H,27,30)/b25-23-
InChIKeyYYBRMUZVRZGMFF-BZZOAKBMSA-N
XLogP4.87
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.52
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (3Z)-3-[2-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-2-oxoethylidene]-1H-indol-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

(3Z)-5-chloro-3-[2-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-2-oxoethylidene]-1H-indol-2-one
CID 177464224
S-phenacyl 4-methoxybenzenecarbothioate
CID 135051267
1-[2-(4-methoxyphenyl)-2-oxoethyl]pyridin-2-one
CID 3613551
2-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylindene-1,3-dione
CID 640533
2-(4-methoxyphenyl)-2-phenacyl-1H-indol-3-one
CID 154722470
2-(3,4-dihydroisoquinolin-1-ylsulfanyl)-1-(4-methoxyphenyl)ethanone
CID 2822261
(3E)-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one
CID 727515
(3Z)-3-(1-phenylethylidene)-1H-indol-2-one
CID 12761441
1-(4-methoxyphenyl)-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 3994616
3-[bis(methylsulfanyl)methylidene]-5-methoxy-1H-indol-2-one
CID 86173525
2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)ethanone
CID 43412223
(2Z)-3-oxo-2-(2-oxo-1H-indol-3-ylidene)-3-phenylpropanenitrile
CID 6069069

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[2-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-2-oxoethylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-3-[2-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-2-oxoethylidene]-1H-indol-2-one (CID 177392701) is (3Z)-3-[2-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-2-oxoethylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[2-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-2-oxoethylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[2-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-2-oxoethylidene]-1H-indol-2-one is COc1ccc(C(=O)CS/C(C(=O)c2ccc(OC)cc2)=C2\C(=O)Nc3ccccc32)cc1.
What is the InChIKey of (3Z)-3-[2-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-2-oxoethylidene]-1H-indol-2-one?
The InChIKey is YYBRMUZVRZGMFF-BZZOAKBMSA-N. The full InChI is InChI=1S/C26H21NO5S/c1-31-18-11-7-16(8-12-18)22(28)15-33-25(24(29)17-9-13-19(32-2)14-10-17)23-20-5-3-4-6-21(20)27-26(23)30/h3-14H,15H2,1-2H3,(H,27,30)/b25-23-.
What are the key properties of (3Z)-3-[2-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-2-oxoethylidene]-1H-indol-2-one?
(3Z)-3-[2-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-2-oxoethylidene]-1H-indol-2-one has a molecular weight of 459.52 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[2-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-2-oxoethylidene]-1H-indol-2-one is sourced from PubChem (CID 177392701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).