2-(1-acetyl-5-phenylimidazol-2-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide

C21H21N3O2S — CID 1206490

IUPAC2-(1-acetyl-5-phenylimidazol-2-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide
SMILESCC(=O)n1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C21H21N3O2S/c1-14-9-10-18(15(2)11-14)23-20(26)13-27-21-22-12-19(24(21)16(3)25)17-7-5-4-6-8-17/h4-12H,13H2,1-3H3,(H,23,26)
InChIKeyZEALVTBLKDELFI-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.56
Rot. Bonds5

About 2-(1-acetyl-5-phenylimidazol-2-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide

2-(1-acetyl-5-phenylimidazol-2-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide (PubChem CID 1206490) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is 2-(1-acetyl-5-phenylimidazol-2-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-acetyl-5-phenylimidazol-2-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide
PubChem CID1206490
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name2-(1-acetyl-5-phenylimidazol-2-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide
SMILESCC(=O)n1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C21H21N3O2S/c1-14-9-10-18(15(2)11-14)23-20(26)13-27-21-22-12-19(24(21)16(3)25)17-7-5-4-6-8-17/h4-12H,13H2,1-3H3,(H,23,26)
InChIKeyZEALVTBLKDELFI-UHFFFAOYSA-N
XLogP4.56
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-acetyl-5-phenylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 1206487
2-[1-(2,4-dimethylphenyl)-5-phenylimidazol-2-yl]sulfanyl-N-methylacetamide
CID 40574695
2-[1-(2-chlorobenzoyl)-5-phenylimidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 3134290
2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide
CID 1151547
2-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide
CID 40655882
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide
CID 724543
2-[2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide
CID 27486670
N-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 734052
N-(2,4-dimethylphenyl)-2-[[4-phenyl-5-[(5-phenyltetrazol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 979787
N-(4-chlorophenyl)-2-[1-(2-methylbenzoyl)-5-phenylimidazol-2-yl]sulfanylacetamide
CID 1374976
N-[(2,4-dimethylphenyl)carbamoyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide
CID 24651805
N-[2-methyl-5-[[2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetyl]amino]phenyl]propanamide
CID 1451070

Frequently Asked Questions

What is the IUPAC name of 2-(1-acetyl-5-phenylimidazol-2-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-(1-acetyl-5-phenylimidazol-2-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide (CID 1206490) is 2-(1-acetyl-5-phenylimidazol-2-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(1-acetyl-5-phenylimidazol-2-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-(1-acetyl-5-phenylimidazol-2-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide is CC(=O)n1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc(C)cc1C.
What is the InChIKey of 2-(1-acetyl-5-phenylimidazol-2-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is ZEALVTBLKDELFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-14-9-10-18(15(2)11-14)23-20(26)13-27-21-22-12-19(24(21)16(3)25)17-7-5-4-6-8-17/h4-12H,13H2,1-3H3,(H,23,26).
What are the key properties of 2-(1-acetyl-5-phenylimidazol-2-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide?
2-(1-acetyl-5-phenylimidazol-2-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 379.49 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetyl-5-phenylimidazol-2-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 1206490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).