2-[1-(cyclohexanecarbonyl)-5-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide

C24H25N3O2S — CID 3134282

IUPAC2-[1-(cyclohexanecarbonyl)-5-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide
SMILESO=C(CSc1ncc(-c2ccccc2)n1C(=O)C1CCCCC1)Nc1ccccc1
InChIInChI=1S/C24H25N3O2S/c28-22(26-20-14-8-3-9-15-20)17-30-24-25-16-21(18-10-4-1-5-11-18)27(24)23(29)19-12-6-2-7-13-19/h1,3-5,8-11,14-16,19H,2,6-7,12-13,17H2,(H,26,28)
InChIKeyKNRMPHWQFXWEBK-UHFFFAOYSA-N
MW419.55 g/mol
LogP5.50
Rot. Bonds6

About 2-[1-(cyclohexanecarbonyl)-5-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide

2-[1-(cyclohexanecarbonyl)-5-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide (PubChem CID 3134282) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is 2-[1-(cyclohexanecarbonyl)-5-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[1-(cyclohexanecarbonyl)-5-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide
PubChem CID3134282
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC Name2-[1-(cyclohexanecarbonyl)-5-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide
SMILESO=C(CSc1ncc(-c2ccccc2)n1C(=O)C1CCCCC1)Nc1ccccc1
InChIInChI=1S/C24H25N3O2S/c28-22(26-20-14-8-3-9-15-20)17-30-24-25-16-21(18-10-4-1-5-11-18)27(24)23(29)19-12-6-2-7-13-19/h1,3-5,8-11,14-16,19H,2,6-7,12-13,17H2,(H,26,28)
InChIKeyKNRMPHWQFXWEBK-UHFFFAOYSA-N
XLogP5.50
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.55
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(cyclohexanecarbonyl)-5-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexanecarbonyl)-5-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide?
The IUPAC name of 2-[1-(cyclohexanecarbonyl)-5-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide (CID 3134282) is 2-[1-(cyclohexanecarbonyl)-5-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-[1-(cyclohexanecarbonyl)-5-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-[1-(cyclohexanecarbonyl)-5-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide is O=C(CSc1ncc(-c2ccccc2)n1C(=O)C1CCCCC1)Nc1ccccc1.
What is the InChIKey of 2-[1-(cyclohexanecarbonyl)-5-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide?
The InChIKey is KNRMPHWQFXWEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2S/c28-22(26-20-14-8-3-9-15-20)17-30-24-25-16-21(18-10-4-1-5-11-18)27(24)23(29)19-12-6-2-7-13-19/h1,3-5,8-11,14-16,19H,2,6-7,12-13,17H2,(H,26,28).
What are the key properties of 2-[1-(cyclohexanecarbonyl)-5-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide?
2-[1-(cyclohexanecarbonyl)-5-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide has a molecular weight of 419.55 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexanecarbonyl)-5-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide is sourced from PubChem (CID 3134282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).