N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxy-3-(methylsulfamoyl)benzamide

C20H21FN4O4S — CID 55501100

IUPACN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxy-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)NC(c2ccc(F)cc2)c2nccn2C)ccc1OC
InChIInChI=1S/C20H21FN4O4S/c1-22-30(27,28)17-12-14(6-9-16(17)29-3)20(26)24-18(19-23-10-11-25(19)2)13-4-7-15(21)8-5-13/h4-12,18,22H,1-3H3,(H,24,26)
InChIKeyVEJZFIGHMZTJFR-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.00
Rot. Bonds7

About N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxy-3-(methylsulfamoyl)benzamide

N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxy-3-(methylsulfamoyl)benzamide (PubChem CID 55501100) has the molecular formula C20H21FN4O4S and a molecular weight of 432.48 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxy-3-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxy-3-(methylsulfamoyl)benzamide
PubChem CID55501100
Molecular FormulaC20H21FN4O4S
Molecular Weight432.48 g/mol
Exact Mass432.13
IUPAC NameN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxy-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)NC(c2ccc(F)cc2)c2nccn2C)ccc1OC
InChIInChI=1S/C20H21FN4O4S/c1-22-30(27,28)17-12-14(6-9-16(17)29-3)20(26)24-18(19-23-10-11-25(19)2)13-4-7-15(21)8-5-13/h4-12,18,22H,1-3H3,(H,24,26)
InChIKeyVEJZFIGHMZTJFR-UHFFFAOYSA-N
XLogP2.00
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxy-3-(methylsulfamoyl)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

[4-[3-[1-(4-Methoxybenzoyl)piperidin-4-yl]imidazol-4-yl]phenyl] 3-(cyclopropylcarbamoyl)benzenesulfonate
CID 142737905
[4-[3-[1-(4-Methoxybenzoyl)piperidin-4-yl]imidazol-4-yl]phenyl] 3-(methylcarbamoyl)benzenesulfonate
CID 142737965
N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 4845845
N-(3-imidazol-1-ylpropyl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 25162903
N-(3-imidazol-1-ylpropyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24686309
N-[1-(3-Imidazol-1-yl-propylcarbamoyl)-2-phenyl-vinyl]-4-methoxy-benzamide
CID 5760250
N-(3-imidazol-1-ylpropyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 25342032
3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 25368520
4-Fluoro-N-({1-[(4-methoxyphenyl)methyl]-1H-imidazol-2-YL}methyl)-N-(propan-2-YL)benzamide
CID 8058748
N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 16675060
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]butanamide
CID 25366300
3-[(dimethylamino)sulfonyl]-5-[(4-ethoxybenzyl)amino]-N-[3-(1H-imidazol-1-yl)propyl]benzamide
CID 26144970

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxy-3-(methylsulfamoyl)benzamide?
The IUPAC name of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxy-3-(methylsulfamoyl)benzamide (CID 55501100) is N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxy-3-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxy-3-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxy-3-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cc(C(=O)NC(c2ccc(F)cc2)c2nccn2C)ccc1OC.
What is the InChIKey of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxy-3-(methylsulfamoyl)benzamide?
The InChIKey is VEJZFIGHMZTJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O4S/c1-22-30(27,28)17-12-14(6-9-16(17)29-3)20(26)24-18(19-23-10-11-25(19)2)13-4-7-15(21)8-5-13/h4-12,18,22H,1-3H3,(H,24,26).
What are the key properties of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxy-3-(methylsulfamoyl)benzamide?
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxy-3-(methylsulfamoyl)benzamide has a molecular weight of 432.48 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxy-3-(methylsulfamoyl)benzamide is sourced from PubChem (CID 55501100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).