N-(1,1-dioxothiolan-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-propan-2-ylphenyl)methyl]acetamide

C26H35NO4S — CID 3363405

About N-(1,1-dioxothiolan-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-propan-2-ylphenyl)methyl]acetamide

N-(1,1-dioxothiolan-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-propan-2-ylphenyl)methyl]acetamide (PubChem CID 3363405) has the molecular formula C26H35NO4S and a molecular weight of 457.64 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-propan-2-ylphenyl)methyl]acetamide.

Molecular Properties

• Compound Name: N-(1,1-dioxothiolan-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-propan-2-ylphenyl)methyl]acetamide
• PubChem CID: 3363405
• Molecular Formula: C26H35NO4S
• Molecular Weight: 457.64 g/mol
• Exact Mass: 457.23
• IUPAC Name: N-(1,1-dioxothiolan-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-propan-2-ylphenyl)methyl]acetamide
• SMILES: Cc1ccc(C(C)C)c(OCC(=O)N(Cc2ccc(C(C)C)cc2)C2CCS(=O)(=O)C2)c1
• InChI: InChI=1S/C26H35NO4S/c1-18(2)22-9-7-21(8-10-22)15-27(23-12-13-32(29,30)17-23)26(28)16-31-25-14-20(5)6-11-24(25)19(3)4/h6-11,14,18-19,23H,12-13,15-17H2,1-5H3
• InChIKey: JIPXHBSEUKKFIC-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 63.68 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.64
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-propan-2-ylphenyl)methyl]acetamide?

The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-propan-2-ylphenyl)methyl]acetamide (CID 3363405) is N-(1,1-dioxothiolan-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-propan-2-ylphenyl)methyl]acetamide.

What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-propan-2-ylphenyl)methyl]acetamide?

The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-propan-2-ylphenyl)methyl]acetamide is Cc1ccc(C(C)C)c(OCC(=O)N(Cc2ccc(C(C)C)cc2)C2CCS(=O)(=O)C2)c1.

What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-propan-2-ylphenyl)methyl]acetamide?

The InChIKey is JIPXHBSEUKKFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35NO4S/c1-18(2)22-9-7-21(8-10-22)15-27(23-12-13-32(29,30)17-23)26(28)16-31-25-14-20(5)6-11-24(25)19(3)4/h6-11,14,18-19,23H,12-13,15-17H2,1-5H3.

What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-propan-2-ylphenyl)methyl]acetamide?

N-(1,1-dioxothiolan-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-propan-2-ylphenyl)methyl]acetamide has a molecular weight of 457.64 g/mol, XLogP of 4.84, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,1-dioxothiolan-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-propan-2-ylphenyl)methyl]acetamide is sourced from PubChem (CID 3363405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).