2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-[2,6-di(propan-2-yl)phenyl]acetamide

C24H35N3O2S — CID 46812725

About 2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-[2,6-di(propan-2-yl)phenyl]acetamide

2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-[2,6-di(propan-2-yl)phenyl]acetamide (PubChem CID 46812725) has the molecular formula C24H35N3O2S and a molecular weight of 429.63 g/mol. Its IUPAC name is 2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-[2,6-di(propan-2-yl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-[2,6-di(propan-2-yl)phenyl]acetamide
• PubChem CID: 46812725
• Molecular Formula: C24H35N3O2S
• Molecular Weight: 429.63 g/mol
• Exact Mass: 429.24
• IUPAC Name: 2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-[2,6-di(propan-2-yl)phenyl]acetamide
• SMILES: Cc1nc(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)n(CC2CCCO2)c1C
• InChI: InChI=1S/C24H35N3O2S/c1-15(2)20-10-7-11-21(16(3)4)23(20)26-22(28)14-30-24-25-17(5)18(6)27(24)13-19-9-8-12-29-19/h7,10-11,15-16,19H,8-9,12-14H2,1-6H3,(H,26,28)
• InChIKey: BDPSIPAWMGHBNB-UHFFFAOYSA-N
• XLogP: 5.66
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.63
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-[2,6-di(propan-2-yl)phenyl]acetamide?

The IUPAC name of 2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-[2,6-di(propan-2-yl)phenyl]acetamide (CID 46812725) is 2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-[2,6-di(propan-2-yl)phenyl]acetamide.

What is the SMILES notation for 2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-[2,6-di(propan-2-yl)phenyl]acetamide?

The canonical SMILES for 2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-[2,6-di(propan-2-yl)phenyl]acetamide is Cc1nc(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)n(CC2CCCO2)c1C.

What is the InChIKey of 2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-[2,6-di(propan-2-yl)phenyl]acetamide?

The InChIKey is BDPSIPAWMGHBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O2S/c1-15(2)20-10-7-11-21(16(3)4)23(20)26-22(28)14-30-24-25-17(5)18(6)27(24)13-19-9-8-12-29-19/h7,10-11,15-16,19H,8-9,12-14H2,1-6H3,(H,26,28).

What are the key properties of 2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-[2,6-di(propan-2-yl)phenyl]acetamide?

2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-[2,6-di(propan-2-yl)phenyl]acetamide has a molecular weight of 429.63 g/mol, XLogP of 5.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-[2,6-di(propan-2-yl)phenyl]acetamide is sourced from PubChem (CID 46812725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).