2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-methylcyclohexyl)propanamide

C21H29N3O3S — CID 78876876

IUPAC2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-methylcyclohexyl)propanamide
SMILESCC1CCCCC1NC(=O)C(C)S(=O)(=O)Cc1nccn1Cc1ccccc1
InChIInChI=1S/C21H29N3O3S/c1-16-8-6-7-11-19(16)23-21(25)17(2)28(26,27)15-20-22-12-13-24(20)14-18-9-4-3-5-10-18/h3-5,9-10,12-13,16-17,19H,6-8,11,14-15H2,1-2H3,(H,23,25)
InChIKeyPMYIVVUFGGURQG-UHFFFAOYSA-N
MW403.55 g/mol
LogP2.93
Rot. Bonds7

About 2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-methylcyclohexyl)propanamide

2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-methylcyclohexyl)propanamide (PubChem CID 78876876) has the molecular formula C21H29N3O3S and a molecular weight of 403.55 g/mol. Its IUPAC name is 2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-methylcyclohexyl)propanamide.

Molecular Properties

Compound Name2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-methylcyclohexyl)propanamide
PubChem CID78876876
Molecular FormulaC21H29N3O3S
Molecular Weight403.55 g/mol
Exact Mass403.19
IUPAC Name2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-methylcyclohexyl)propanamide
SMILESCC1CCCCC1NC(=O)C(C)S(=O)(=O)Cc1nccn1Cc1ccccc1
InChIInChI=1S/C21H29N3O3S/c1-16-8-6-7-11-19(16)23-21(25)17(2)28(26,27)15-20-22-12-13-24(20)14-18-9-4-3-5-10-18/h3-5,9-10,12-13,16-17,19H,6-8,11,14-15H2,1-2H3,(H,23,25)
InChIKeyPMYIVVUFGGURQG-UHFFFAOYSA-N
XLogP2.93
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide
CID 78876975
(2R)-N-[(1S,2R)-2-methylcyclohexyl]-2-[(4-propan-2-ylphenyl)methylsulfonyl]propanamide
CID 51724645
2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(5-fluoro-2-methylphenyl)propanamide
CID 78877155
2-benzylsulfonyl-N-cycloheptylpropanamide
CID 46589032
2-[(4-cyanophenyl)methylsulfonyl]-N-(2-methylcyclohexyl)propanamide
CID 138050387
(2R)-N-[(1R,2R)-2-benzylcyclohexyl]-2-methylsulfonylpropanamide
CID 96532946
N-[2-(1-benzylimidazol-2-yl)ethyl]-2,3-dimethylpiperidine-1-carboxamide
CID 75468026
3-(1-benzylimidazol-2-yl)-2-methylpropanoic acid
CID 84704499
1-benzyl-2-[(2-methylphenyl)methylsulfonylmethyl]imidazole
CID 86989671
2-(4-benzylpiperazin-1-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8902763
trans-(1-benzylimidazol-2-yl)methyl (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 95608797
2-methylsulfonyl-N-(2-phenylcyclohexyl)propanamide
CID 75420632

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-methylcyclohexyl)propanamide?
The IUPAC name of 2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-methylcyclohexyl)propanamide (CID 78876876) is 2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-methylcyclohexyl)propanamide.
What is the SMILES notation for 2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-methylcyclohexyl)propanamide?
The canonical SMILES for 2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-methylcyclohexyl)propanamide is CC1CCCCC1NC(=O)C(C)S(=O)(=O)Cc1nccn1Cc1ccccc1.
What is the InChIKey of 2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-methylcyclohexyl)propanamide?
The InChIKey is PMYIVVUFGGURQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3S/c1-16-8-6-7-11-19(16)23-21(25)17(2)28(26,27)15-20-22-12-13-24(20)14-18-9-4-3-5-10-18/h3-5,9-10,12-13,16-17,19H,6-8,11,14-15H2,1-2H3,(H,23,25).
What are the key properties of 2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-methylcyclohexyl)propanamide?
2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-methylcyclohexyl)propanamide has a molecular weight of 403.55 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-methylcyclohexyl)propanamide is sourced from PubChem (CID 78876876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).