2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-(3-fluoro-4-imidazol-1-ylphenyl)acetamide

C20H21FN4O3S — CID 55956292

IUPAC2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-(3-fluoro-4-imidazol-1-ylphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(-n3ccnc3)c(F)c2)cc1C
InChIInChI=1S/C20H21FN4O3S/c1-14-4-6-17(10-15(14)2)29(27,28)24(3)12-20(26)23-16-5-7-19(18(21)11-16)25-9-8-22-13-25/h4-11,13H,12H2,1-3H3,(H,23,26)
InChIKeyJLEFCLDWYPXKJB-UHFFFAOYSA-N
MW416.48 g/mol
LogP2.89
Rot. Bonds6

About 2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-(3-fluoro-4-imidazol-1-ylphenyl)acetamide

2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-(3-fluoro-4-imidazol-1-ylphenyl)acetamide (PubChem CID 55956292) has the molecular formula C20H21FN4O3S and a molecular weight of 416.48 g/mol. Its IUPAC name is 2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-(3-fluoro-4-imidazol-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-(3-fluoro-4-imidazol-1-ylphenyl)acetamide
PubChem CID55956292
Molecular FormulaC20H21FN4O3S
Molecular Weight416.48 g/mol
Exact Mass416.13
IUPAC Name2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-(3-fluoro-4-imidazol-1-ylphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(-n3ccnc3)c(F)c2)cc1C
InChIInChI=1S/C20H21FN4O3S/c1-14-4-6-17(10-15(14)2)29(27,28)24(3)12-20(26)23-16-5-7-19(18(21)11-16)25-9-8-22-13-25/h4-11,13H,12H2,1-3H3,(H,23,26)
InChIKeyJLEFCLDWYPXKJB-UHFFFAOYSA-N
XLogP2.89
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(dimethylsulfamoyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide
CID 55856122
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(4-imidazol-1-ylphenyl)acetamide
CID 55531022
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(3-fluoro-4-pyrazol-1-ylphenyl)acetamide
CID 55892273
N-(3,4-dimethylphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 4548442
N-(3-fluoro-4-imidazol-1-ylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55956166
N-(3-fluoro-4-imidazol-1-ylphenyl)-4-(methylamino)butanamide;dihydrochloride
CID 119860243
N-(3,4-difluorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 28546084
2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 55635543
2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-pyridin-2-ylacetamide
CID 25343534
2-(4-chloro-2-methylphenoxy)-N-(3-fluoro-4-imidazol-1-ylphenyl)acetamide
CID 55856249
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)acetamide
CID 55889160
N-(3-chloro-4-cyanophenyl)-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 38014178

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-(3-fluoro-4-imidazol-1-ylphenyl)acetamide?
The IUPAC name of 2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-(3-fluoro-4-imidazol-1-ylphenyl)acetamide (CID 55956292) is 2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-(3-fluoro-4-imidazol-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-(3-fluoro-4-imidazol-1-ylphenyl)acetamide?
The canonical SMILES for 2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-(3-fluoro-4-imidazol-1-ylphenyl)acetamide is Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(-n3ccnc3)c(F)c2)cc1C.
What is the InChIKey of 2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-(3-fluoro-4-imidazol-1-ylphenyl)acetamide?
The InChIKey is JLEFCLDWYPXKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3S/c1-14-4-6-17(10-15(14)2)29(27,28)24(3)12-20(26)23-16-5-7-19(18(21)11-16)25-9-8-22-13-25/h4-11,13H,12H2,1-3H3,(H,23,26).
What are the key properties of 2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-(3-fluoro-4-imidazol-1-ylphenyl)acetamide?
2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-(3-fluoro-4-imidazol-1-ylphenyl)acetamide has a molecular weight of 416.48 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-(3-fluoro-4-imidazol-1-ylphenyl)acetamide is sourced from PubChem (CID 55956292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).