N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide

C24H29N3O3S — CID 24639617

About N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide

N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 24639617) has the molecular formula C24H29N3O3S and a molecular weight of 439.58 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

• Compound Name: N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide
• PubChem CID: 24639617
• Molecular Formula: C24H29N3O3S
• Molecular Weight: 439.58 g/mol
• Exact Mass: 439.19
• IUPAC Name: N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide
• SMILES: COc1cccc(CN(C)C(=O)CSc2nccn2-c2ccc(C(C)C)cc2)c1OC
• InChI: InChI=1S/C24H29N3O3S/c1-17(2)18-9-11-20(12-10-18)27-14-13-25-24(27)31-16-22(28)26(3)15-19-7-6-8-21(29-4)23(19)30-5/h6-14,17H,15-16H2,1-5H3
• InChIKey: IHOYQIGVUYVNCH-UHFFFAOYSA-N
• XLogP: 4.76
• TPSA: 56.59 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.58
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide?

The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide (CID 24639617) is N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide.

What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide?

The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide is COc1cccc(CN(C)C(=O)CSc2nccn2-c2ccc(C(C)C)cc2)c1OC.

What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide?

The InChIKey is IHOYQIGVUYVNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S/c1-17(2)18-9-11-20(12-10-18)27-14-13-25-24(27)31-16-22(28)26(3)15-19-7-6-8-21(29-4)23(19)30-5/h6-14,17H,15-16H2,1-5H3.

What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide?

N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 439.58 g/mol, XLogP of 4.76, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 24639617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).