2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide

C18H19N3O3S — CID 4266964

IUPAC2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccc(C2(C)NC(=O)N(CC(=O)NCc3cccs3)C2=O)cc1
InChIInChI=1S/C18H19N3O3S/c1-12-5-7-13(8-6-12)18(2)16(23)21(17(24)20-18)11-15(22)19-10-14-4-3-9-25-14/h3-9H,10-11H2,1-2H3,(H,19,22)(H,20,24)
InChIKeyYXDUEEQYUOJFME-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.14
Rot. Bonds5

About 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide

2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 4266964) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID4266964
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccc(C2(C)NC(=O)N(CC(=O)NCc3cccs3)C2=O)cc1
InChIInChI=1S/C18H19N3O3S/c1-12-5-7-13(8-6-12)18(2)16(23)21(17(24)20-18)11-15(22)19-10-14-4-3-9-25-14/h3-9H,10-11H2,1-2H3,(H,19,22)(H,20,24)
InChIKeyYXDUEEQYUOJFME-UHFFFAOYSA-N
XLogP2.14
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 4266964) is 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide is Cc1ccc(C2(C)NC(=O)N(CC(=O)NCc3cccs3)C2=O)cc1.
What is the InChIKey of 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is YXDUEEQYUOJFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-12-5-7-13(8-6-12)18(2)16(23)21(17(24)20-18)11-15(22)19-10-14-4-3-9-25-14/h3-9H,10-11H2,1-2H3,(H,19,22)(H,20,24).
What are the key properties of 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 357.44 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 4266964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).