(2R)-N-(3-acetylphenyl)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-2-phenylacetamide

C27H25N3O2S — CID 40795333

About (2R)-N-(3-acetylphenyl)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-2-phenylacetamide

(2R)-N-(3-acetylphenyl)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-2-phenylacetamide (PubChem CID 40795333) has the molecular formula C27H25N3O2S and a molecular weight of 455.58 g/mol. Its IUPAC name is (2R)-N-(3-acetylphenyl)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-2-phenylacetamide.

Molecular Properties

• Compound Name: (2R)-N-(3-acetylphenyl)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-2-phenylacetamide
• PubChem CID: 40795333
• Molecular Formula: C27H25N3O2S
• Molecular Weight: 455.58 g/mol
• Exact Mass: 455.17
• IUPAC Name: (2R)-N-(3-acetylphenyl)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-2-phenylacetamide
• SMILES: CC(=O)c1cccc(NC(=O)[C@H](Sc2nc(Cc3ccccc3)c(C)[nH]2)c2ccccc2)c1
• InChI: InChI=1S/C27H25N3O2S/c1-18-24(16-20-10-5-3-6-11-20)30-27(28-18)33-25(21-12-7-4-8-13-21)26(32)29-23-15-9-14-22(17-23)19(2)31/h3-15,17,25H,16H2,1-2H3,(H,28,30)(H,29,32)/t25-/m1/s1
• InChIKey: YTGNAXPNYKIYJT-RUZDIDTESA-N
• XLogP: 5.98
• TPSA: 74.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.58
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-acetylphenyl)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-2-phenylacetamide?

The IUPAC name of (2R)-N-(3-acetylphenyl)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-2-phenylacetamide (CID 40795333) is (2R)-N-(3-acetylphenyl)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-2-phenylacetamide.

What is the SMILES notation for (2R)-N-(3-acetylphenyl)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-2-phenylacetamide?

The canonical SMILES for (2R)-N-(3-acetylphenyl)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-2-phenylacetamide is CC(=O)c1cccc(NC(=O)[C@H](Sc2nc(Cc3ccccc3)c(C)[nH]2)c2ccccc2)c1.

What is the InChIKey of (2R)-N-(3-acetylphenyl)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-2-phenylacetamide?

The InChIKey is YTGNAXPNYKIYJT-RUZDIDTESA-N. The full InChI is InChI=1S/C27H25N3O2S/c1-18-24(16-20-10-5-3-6-11-20)30-27(28-18)33-25(21-12-7-4-8-13-21)26(32)29-23-15-9-14-22(17-23)19(2)31/h3-15,17,25H,16H2,1-2H3,(H,28,30)(H,29,32)/t25-/m1/s1.

What are the key properties of (2R)-N-(3-acetylphenyl)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-2-phenylacetamide?

(2R)-N-(3-acetylphenyl)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-2-phenylacetamide has a molecular weight of 455.58 g/mol, XLogP of 5.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-(3-acetylphenyl)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-2-phenylacetamide is sourced from PubChem (CID 40795333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).