2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylacetamide

C18H21Cl2N3O5S — CID 2126167

About 2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylacetamide

2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylacetamide (PubChem CID 2126167) has the molecular formula C18H21Cl2N3O5S and a molecular weight of 462.36 g/mol. Its IUPAC name is 2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylacetamide.

Molecular Properties

• Compound Name: 2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
• PubChem CID: 2126167
• Molecular Formula: C18H21Cl2N3O5S
• Molecular Weight: 462.36 g/mol
• Exact Mass: 461.06
• IUPAC Name: 2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
• SMILES: CCN(C(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2Cl)C1=O)[C@H]1CCS(=O)(=O)C1
• InChI: InChI=1S/C18H21Cl2N3O5S/c1-3-22(12-6-7-29(27,28)10-12)15(24)9-23-16(25)18(2,21-17(23)26)13-5-4-11(19)8-14(13)20/h4-5,8,12H,3,6-7,9-10H2,1-2H3,(H,21,26)/t12-,18+/m0/s1
• InChIKey: QBXYZBMOLGFNHT-KPZWWZAWSA-N
• XLogP: 1.80
• TPSA: 103.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.36
LogP ≤ 5	1.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylacetamide?

The IUPAC name of 2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylacetamide (CID 2126167) is 2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylacetamide.

What is the SMILES notation for 2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylacetamide?

The canonical SMILES for 2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylacetamide is CCN(C(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2Cl)C1=O)[C@H]1CCS(=O)(=O)C1.

What is the InChIKey of 2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylacetamide?

The InChIKey is QBXYZBMOLGFNHT-KPZWWZAWSA-N. The full InChI is InChI=1S/C18H21Cl2N3O5S/c1-3-22(12-6-7-29(27,28)10-12)15(24)9-23-16(25)18(2,21-17(23)26)13-5-4-11(19)8-14(13)20/h4-5,8,12H,3,6-7,9-10H2,1-2H3,(H,21,26)/t12-,18+/m0/s1.

What are the key properties of 2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylacetamide?

2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylacetamide has a molecular weight of 462.36 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylacetamide is sourced from PubChem (CID 2126167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).