4-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2,4,6-trimethylphenyl)butanamide

C24H29N3O3S — CID 78877702

IUPAC4-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2,4,6-trimethylphenyl)butanamide
SMILESCc1cc(C)c(NC(=O)CCCS(=O)(=O)Cc2nccn2Cc2ccccc2)c(C)c1
InChIInChI=1S/C24H29N3O3S/c1-18-14-19(2)24(20(3)15-18)26-23(28)10-7-13-31(29,30)17-22-25-11-12-27(22)16-21-8-5-4-6-9-21/h4-6,8-9,11-12,14-15H,7,10,13,16-17H2,1-3H3,(H,26,28)
InChIKeyBEINKMLBIVEHTJ-UHFFFAOYSA-N
MW439.58 g/mol
LogP4.19
Rot. Bonds9

About 4-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2,4,6-trimethylphenyl)butanamide

4-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2,4,6-trimethylphenyl)butanamide (PubChem CID 78877702) has the molecular formula C24H29N3O3S and a molecular weight of 439.58 g/mol. Its IUPAC name is 4-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2,4,6-trimethylphenyl)butanamide.

Molecular Properties

Compound Name4-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2,4,6-trimethylphenyl)butanamide
PubChem CID78877702
Molecular FormulaC24H29N3O3S
Molecular Weight439.58 g/mol
Exact Mass439.19
IUPAC Name4-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2,4,6-trimethylphenyl)butanamide
SMILESCc1cc(C)c(NC(=O)CCCS(=O)(=O)Cc2nccn2Cc2ccccc2)c(C)c1
InChIInChI=1S/C24H29N3O3S/c1-18-14-19(2)24(20(3)15-18)26-23(28)10-7-13-31(29,30)17-22-25-11-12-27(22)16-21-8-5-4-6-9-21/h4-6,8-9,11-12,14-15H,7,10,13,16-17H2,1-3H3,(H,26,28)
InChIKeyBEINKMLBIVEHTJ-UHFFFAOYSA-N
XLogP4.19
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2,4,6-trimethylphenyl)butanamide 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 4-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2,4,6-trimethylphenyl)butanamide?
The IUPAC name of 4-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2,4,6-trimethylphenyl)butanamide (CID 78877702) is 4-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2,4,6-trimethylphenyl)butanamide.
What is the SMILES notation for 4-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2,4,6-trimethylphenyl)butanamide?
The canonical SMILES for 4-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2,4,6-trimethylphenyl)butanamide is Cc1cc(C)c(NC(=O)CCCS(=O)(=O)Cc2nccn2Cc2ccccc2)c(C)c1.
What is the InChIKey of 4-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2,4,6-trimethylphenyl)butanamide?
The InChIKey is BEINKMLBIVEHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S/c1-18-14-19(2)24(20(3)15-18)26-23(28)10-7-13-31(29,30)17-22-25-11-12-27(22)16-21-8-5-4-6-9-21/h4-6,8-9,11-12,14-15H,7,10,13,16-17H2,1-3H3,(H,26,28).
What are the key properties of 4-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2,4,6-trimethylphenyl)butanamide?
4-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2,4,6-trimethylphenyl)butanamide has a molecular weight of 439.58 g/mol, XLogP of 4.19, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2,4,6-trimethylphenyl)butanamide is sourced from PubChem (CID 78877702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).