N-(4-methoxyphenyl)-2-[(4Z)-4-[[4-(4-methylphenyl)sulfanylphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide

C26H23N3O4S — CID 126229568

IUPACN-(4-methoxyphenyl)-2-[(4Z)-4-[[4-(4-methylphenyl)sulfanylphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(Sc4ccc(C)cc4)cc3)C2=O)cc1
InChIInChI=1S/C26H23N3O4S/c1-17-3-11-21(12-4-17)34-22-13-5-18(6-14-22)15-23-25(31)29(26(32)28-23)16-24(30)27-19-7-9-20(33-2)10-8-19/h3-15H,16H2,1-2H3,(H,27,30)(H,28,32)/b23-15-
InChIKeyZFOCUVTWAXROIX-HAHDFKILSA-N
MW473.55 g/mol
LogP4.69
Rot. Bonds7

About N-(4-methoxyphenyl)-2-[(4Z)-4-[[4-(4-methylphenyl)sulfanylphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide

N-(4-methoxyphenyl)-2-[(4Z)-4-[[4-(4-methylphenyl)sulfanylphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 126229568) has the molecular formula C26H23N3O4S and a molecular weight of 473.55 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[(4Z)-4-[[4-(4-methylphenyl)sulfanylphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[(4Z)-4-[[4-(4-methylphenyl)sulfanylphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID126229568
Molecular FormulaC26H23N3O4S
Molecular Weight473.55 g/mol
Exact Mass473.14
IUPAC NameN-(4-methoxyphenyl)-2-[(4Z)-4-[[4-(4-methylphenyl)sulfanylphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(Sc4ccc(C)cc4)cc3)C2=O)cc1
InChIInChI=1S/C26H23N3O4S/c1-17-3-11-21(12-4-17)34-22-13-5-18(6-14-22)15-23-25(31)29(26(32)28-23)16-24(30)27-19-7-9-20(33-2)10-8-19/h3-15H,16H2,1-2H3,(H,27,30)(H,28,32)/b23-15-
InChIKeyZFOCUVTWAXROIX-HAHDFKILSA-N
XLogP4.69
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4E)-4-[(3,4-dichlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 126029584
N-(4-methoxyphenyl)-2-[(4Z)-4-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 126233774
2-[(4Z)-2,5-dioxo-4-(thiophen-2-ylmethylidene)imidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 16632775
N-(4-ethoxyphenyl)-2-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16632796
5-[(4-methoxyphenyl)methylidene]-3-(2-oxopropyl)imidazolidine-2,4-dione
CID 139624764
2-[(4E)-4-[[4-[(2R)-butan-2-yl]oxy-3-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 126030388
2-[(4E)-4-[(1-cyclohexylpyrrol-3-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 50854766
2-[4-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 3795061
N-(4-methylphenyl)-2-[(4Z)-4-[(2-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 19256101
2-[4-[[3-bromo-4-(dimethylamino)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 2921591
2-[(4Z)-4-[[4-(2-amino-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 6240818
2-[4-[(4-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 78415108

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[(4Z)-4-[[4-(4-methylphenyl)sulfanylphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[(4Z)-4-[[4-(4-methylphenyl)sulfanylphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide (CID 126229568) is N-(4-methoxyphenyl)-2-[(4Z)-4-[[4-(4-methylphenyl)sulfanylphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[(4Z)-4-[[4-(4-methylphenyl)sulfanylphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[(4Z)-4-[[4-(4-methylphenyl)sulfanylphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide is COc1ccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(Sc4ccc(C)cc4)cc3)C2=O)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[(4Z)-4-[[4-(4-methylphenyl)sulfanylphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is ZFOCUVTWAXROIX-HAHDFKILSA-N. The full InChI is InChI=1S/C26H23N3O4S/c1-17-3-11-21(12-4-17)34-22-13-5-18(6-14-22)15-23-25(31)29(26(32)28-23)16-24(30)27-19-7-9-20(33-2)10-8-19/h3-15H,16H2,1-2H3,(H,27,30)(H,28,32)/b23-15-.
What are the key properties of N-(4-methoxyphenyl)-2-[(4Z)-4-[[4-(4-methylphenyl)sulfanylphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(4-methoxyphenyl)-2-[(4Z)-4-[[4-(4-methylphenyl)sulfanylphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 473.55 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[(4Z)-4-[[4-(4-methylphenyl)sulfanylphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 126229568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).