N-(4-methylphenyl)-2-[(4E)-4-[(5-methylthiophen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide

C18H17N3O3S — CID 7326464

IUPACN-(4-methylphenyl)-2-[(4E)-4-[(5-methylthiophen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(C)s3)C2=O)cc1
InChIInChI=1S/C18H17N3O3S/c1-11-3-6-13(7-4-11)19-16(22)10-21-17(23)15(20-18(21)24)9-14-8-5-12(2)25-14/h3-9H,10H2,1-2H3,(H,19,22)(H,20,24)/b15-9+
InChIKeyPSZVWNUEDJXAMD-OQLLNIDSSA-N
MW355.42 g/mol
LogP2.90
Rot. Bonds4

About N-(4-methylphenyl)-2-[(4E)-4-[(5-methylthiophen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide

N-(4-methylphenyl)-2-[(4E)-4-[(5-methylthiophen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 7326464) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[(4E)-4-[(5-methylthiophen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[(4E)-4-[(5-methylthiophen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID7326464
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-(4-methylphenyl)-2-[(4E)-4-[(5-methylthiophen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(C)s3)C2=O)cc1
InChIInChI=1S/C18H17N3O3S/c1-11-3-6-13(7-4-11)19-16(22)10-21-17(23)15(20-18(21)24)9-14-8-5-12(2)25-14/h3-9H,10H2,1-2H3,(H,19,22)(H,20,24)/b15-9+
InChIKeyPSZVWNUEDJXAMD-OQLLNIDSSA-N
XLogP2.90
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[(4E)-4-[(5-methylthiophen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(4-methylphenyl)-2-[(4E)-4-[(5-methylthiophen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide (CID 7326464) is N-(4-methylphenyl)-2-[(4E)-4-[(5-methylthiophen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[(4E)-4-[(5-methylthiophen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[(4E)-4-[(5-methylthiophen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide is Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(C)s3)C2=O)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[(4E)-4-[(5-methylthiophen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is PSZVWNUEDJXAMD-OQLLNIDSSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-11-3-6-13(7-4-11)19-16(22)10-21-17(23)15(20-18(21)24)9-14-8-5-12(2)25-14/h3-9H,10H2,1-2H3,(H,19,22)(H,20,24)/b15-9+.
What are the key properties of N-(4-methylphenyl)-2-[(4E)-4-[(5-methylthiophen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(4-methylphenyl)-2-[(4E)-4-[(5-methylthiophen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 355.42 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[(4E)-4-[(5-methylthiophen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 7326464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).