N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide

C24H28N4O5S — CID 41214600

About N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide

N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide (PubChem CID 41214600) has the molecular formula C24H28N4O5S and a molecular weight of 484.58 g/mol. Its IUPAC name is N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
• PubChem CID: 41214600
• Molecular Formula: C24H28N4O5S
• Molecular Weight: 484.58 g/mol
• Exact Mass: 484.18
• IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
• SMILES: C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)C1=O
• InChI: InChI=1S/C24H28N4O5S/c1-24(18-9-5-4-6-10-18)22(30)28(23(31)26-24)17-21(29)25-19-11-13-20(14-12-19)34(32,33)27-15-7-2-3-8-16-27/h4-6,9-14H,2-3,7-8,15-17H2,1H3,(H,25,29)(H,26,31)/t24-/m0/s1
• InChIKey: WFGQCRCSBIUYSG-DEOSSOPVSA-N
• XLogP: 2.66
• TPSA: 115.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.58
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	2
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-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?

The IUPAC name of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide (CID 41214600) is N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide.

What is the SMILES notation for N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?

The canonical SMILES for N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide is C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)C1=O.

What is the InChIKey of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?

The InChIKey is WFGQCRCSBIUYSG-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H28N4O5S/c1-24(18-9-5-4-6-10-18)22(30)28(23(31)26-24)17-21(29)25-19-11-13-20(14-12-19)34(32,33)27-15-7-2-3-8-16-27/h4-6,9-14H,2-3,7-8,15-17H2,1H3,(H,25,29)(H,26,31)/t24-/m0/s1.

What are the key properties of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?

N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide has a molecular weight of 484.58 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide is sourced from PubChem (CID 41214600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).