3-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]thiophene-2-carboxamide

C18H19N3O3S — CID 42920177

About 3-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]thiophene-2-carboxamide

3-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]thiophene-2-carboxamide (PubChem CID 42920177) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 3-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 3-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]thiophene-2-carboxamide
• PubChem CID: 42920177
• Molecular Formula: C18H19N3O3S
• Molecular Weight: 357.44 g/mol
• Exact Mass: 357.11
• IUPAC Name: 3-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]thiophene-2-carboxamide
• SMILES: Cc1ccsc1C(=O)NN1C(=O)NC(C)(CCc2ccccc2)C1=O
• InChI: InChI=1S/C18H19N3O3S/c1-12-9-11-25-14(12)15(22)20-21-16(23)18(2,19-17(21)24)10-8-13-6-4-3-5-7-13/h3-7,9,11H,8,10H2,1-2H3,(H,19,24)(H,20,22)
• InChIKey: OBLKZAJSHKCITB-UHFFFAOYSA-N
• XLogP: 2.64
• TPSA: 78.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.44
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]thiophene-2-carboxamide?

The IUPAC name of 3-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]thiophene-2-carboxamide (CID 42920177) is 3-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]thiophene-2-carboxamide.

What is the SMILES notation for 3-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]thiophene-2-carboxamide?

The canonical SMILES for 3-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]thiophene-2-carboxamide is Cc1ccsc1C(=O)NN1C(=O)NC(C)(CCc2ccccc2)C1=O.

What is the InChIKey of 3-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]thiophene-2-carboxamide?

The InChIKey is OBLKZAJSHKCITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-12-9-11-25-14(12)15(22)20-21-16(23)18(2,19-17(21)24)10-8-13-6-4-3-5-7-13/h3-7,9,11H,8,10H2,1-2H3,(H,19,24)(H,20,22).

What are the key properties of 3-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]thiophene-2-carboxamide?

3-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]thiophene-2-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]thiophene-2-carboxamide is sourced from PubChem (CID 42920177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).