N-[(2-methoxyphenyl)methyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)butanamide

C21H25N3O4S — CID 55383844

About N-[(2-methoxyphenyl)methyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)butanamide

N-[(2-methoxyphenyl)methyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)butanamide (PubChem CID 55383844) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

• Compound Name: N-[(2-methoxyphenyl)methyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)butanamide
• PubChem CID: 55383844
• Molecular Formula: C21H25N3O4S
• Molecular Weight: 415.52 g/mol
• Exact Mass: 415.16
• IUPAC Name: N-[(2-methoxyphenyl)methyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)butanamide
• SMILES: COc1ccccc1CN(Cc1cccs1)C(=O)CCCN1C(=O)CN(C)C1=O
• InChI: InChI=1S/C21H25N3O4S/c1-22-15-20(26)24(21(22)27)11-5-10-19(25)23(14-17-8-6-12-29-17)13-16-7-3-4-9-18(16)28-2/h3-4,6-9,12H,5,10-11,13-15H2,1-2H3
• InChIKey: NJPGBXPPHNWQAN-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 70.16 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.52
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	0
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 N-[(2-methoxyphenyl)methyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)butanamide?

The IUPAC name of N-[(2-methoxyphenyl)methyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)butanamide (CID 55383844) is N-[(2-methoxyphenyl)methyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)butanamide.

What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)butanamide?

The canonical SMILES for N-[(2-methoxyphenyl)methyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)butanamide is COc1ccccc1CN(Cc1cccs1)C(=O)CCCN1C(=O)CN(C)C1=O.

What is the InChIKey of N-[(2-methoxyphenyl)methyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)butanamide?

The InChIKey is NJPGBXPPHNWQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-22-15-20(26)24(21(22)27)11-5-10-19(25)23(14-17-8-6-12-29-17)13-16-7-3-4-9-18(16)28-2/h3-4,6-9,12H,5,10-11,13-15H2,1-2H3.

What are the key properties of N-[(2-methoxyphenyl)methyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)butanamide?

N-[(2-methoxyphenyl)methyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 415.52 g/mol, XLogP of 2.96, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-methoxyphenyl)methyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 55383844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).