2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(5-fluoro-2-methylphenyl)propanamide

C21H22FN3O3S — CID 78877155

IUPAC2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(5-fluoro-2-methylphenyl)propanamide
SMILESCc1ccc(F)cc1NC(=O)C(C)S(=O)(=O)Cc1nccn1Cc1ccccc1
InChIInChI=1S/C21H22FN3O3S/c1-15-8-9-18(22)12-19(15)24-21(26)16(2)29(27,28)14-20-23-10-11-25(20)13-17-6-4-3-5-7-17/h3-12,16H,13-14H2,1-2H3,(H,24,26)
InChIKeyAVWWIWWXJXVIHV-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.32
Rot. Bonds7

About 2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(5-fluoro-2-methylphenyl)propanamide

2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(5-fluoro-2-methylphenyl)propanamide (PubChem CID 78877155) has the molecular formula C21H22FN3O3S and a molecular weight of 415.49 g/mol. Its IUPAC name is 2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(5-fluoro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(5-fluoro-2-methylphenyl)propanamide
PubChem CID78877155
Molecular FormulaC21H22FN3O3S
Molecular Weight415.49 g/mol
Exact Mass415.14
IUPAC Name2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(5-fluoro-2-methylphenyl)propanamide
SMILESCc1ccc(F)cc1NC(=O)C(C)S(=O)(=O)Cc1nccn1Cc1ccccc1
InChIInChI=1S/C21H22FN3O3S/c1-15-8-9-18(22)12-19(15)24-21(26)16(2)29(27,28)14-20-23-10-11-25(20)13-17-6-4-3-5-7-17/h3-12,16H,13-14H2,1-2H3,(H,24,26)
InChIKeyAVWWIWWXJXVIHV-UHFFFAOYSA-N
XLogP3.32
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.32
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
N-(5-fluoro-2-methylphenyl)-2-[(2-methylphenyl)methylsulfonyl]propanamide
CID 86923009
2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-methylcyclohexyl)propanamide
CID 78876876
3-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(4-fluorophenyl)propanamide
CID 78877050
1-benzyl-2-[(2-methylphenyl)methylsulfonylmethyl]imidazole
CID 86989671
2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-fluorophenyl)acetamide
CID 78876781
4-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2,4,6-trimethylphenyl)butanamide
CID 78877702
3-(1-benzylimidazol-2-yl)-2-methylpropanoic acid
CID 84704499
3-chloro-N-(5-fluoro-2-methylphenyl)-2-methylpropanamide
CID 62729006
1-(5-fluoro-2-methylphenyl)-3-[(1S)-1-phenylethyl]urea
CID 51944551
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide
CID 86919898
(1S)-N-[(1-benzylimidazol-2-yl)methyl]-1-(3,5-difluorophenyl)ethanamine
CID 99626012

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(5-fluoro-2-methylphenyl)propanamide?
The IUPAC name of 2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(5-fluoro-2-methylphenyl)propanamide (CID 78877155) is 2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(5-fluoro-2-methylphenyl)propanamide.
What is the SMILES notation for 2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(5-fluoro-2-methylphenyl)propanamide?
The canonical SMILES for 2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(5-fluoro-2-methylphenyl)propanamide is Cc1ccc(F)cc1NC(=O)C(C)S(=O)(=O)Cc1nccn1Cc1ccccc1.
What is the InChIKey of 2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(5-fluoro-2-methylphenyl)propanamide?
The InChIKey is AVWWIWWXJXVIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3S/c1-15-8-9-18(22)12-19(15)24-21(26)16(2)29(27,28)14-20-23-10-11-25(20)13-17-6-4-3-5-7-17/h3-12,16H,13-14H2,1-2H3,(H,24,26).
What are the key properties of 2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(5-fluoro-2-methylphenyl)propanamide?
2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(5-fluoro-2-methylphenyl)propanamide has a molecular weight of 415.49 g/mol, XLogP of 3.32, 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-(5-fluoro-2-methylphenyl)propanamide is sourced from PubChem (CID 78877155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).