2-[(1,1-dioxothiolan-3-yl)-propylamino]-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C20H28N4O6S — CID 55446759

About 2-[(1,1-dioxothiolan-3-yl)-propylamino]-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

2-[(1,1-dioxothiolan-3-yl)-propylamino]-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 55446759) has the molecular formula C20H28N4O6S and a molecular weight of 452.53 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)-propylamino]-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

• Compound Name: 2-[(1,1-dioxothiolan-3-yl)-propylamino]-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
• PubChem CID: 55446759
• Molecular Formula: C20H28N4O6S
• Molecular Weight: 452.53 g/mol
• Exact Mass: 452.17
• IUPAC Name: 2-[(1,1-dioxothiolan-3-yl)-propylamino]-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
• SMILES: CCCN(CC(=O)NN1C(=O)NC(C)(c2ccc(OC)cc2)C1=O)C1CCS(=O)(=O)C1
• InChI: InChI=1S/C20H28N4O6S/c1-4-10-23(15-9-11-31(28,29)13-15)12-17(25)22-24-18(26)20(2,21-19(24)27)14-5-7-16(30-3)8-6-14/h5-8,15H,4,9-13H2,1-3H3,(H,21,27)(H,22,25)
• InChIKey: QHAWRCPMUQSVHG-UHFFFAOYSA-N
• XLogP: 0.39
• TPSA: 125.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.53
LogP ≤ 5	0.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-propylamino]-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-propylamino]-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 55446759) is 2-[(1,1-dioxothiolan-3-yl)-propylamino]-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)-propylamino]-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)-propylamino]-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is CCCN(CC(=O)NN1C(=O)NC(C)(c2ccc(OC)cc2)C1=O)C1CCS(=O)(=O)C1.

What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)-propylamino]-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

The InChIKey is QHAWRCPMUQSVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O6S/c1-4-10-23(15-9-11-31(28,29)13-15)12-17(25)22-24-18(26)20(2,21-19(24)27)14-5-7-16(30-3)8-6-14/h5-8,15H,4,9-13H2,1-3H3,(H,21,27)(H,22,25).

What are the key properties of 2-[(1,1-dioxothiolan-3-yl)-propylamino]-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

2-[(1,1-dioxothiolan-3-yl)-propylamino]-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 452.53 g/mol, XLogP of 0.39, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1,1-dioxothiolan-3-yl)-propylamino]-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 55446759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).