3-(diethylsulfamoyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide

C23H27FN4O4S — CID 42922984

IUPAC3-(diethylsulfamoyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NC(c2ccc(F)cc2)c2nccn2C)ccc1OC
InChIInChI=1S/C23H27FN4O4S/c1-5-28(6-2)33(30,31)20-15-17(9-12-19(20)32-4)23(29)26-21(22-25-13-14-27(22)3)16-7-10-18(24)11-8-16/h7-15,21H,5-6H2,1-4H3,(H,26,29)
InChIKeyIRBFLRDLCZLPPI-UHFFFAOYSA-N
MW474.56 g/mol
LogP3.12
Rot. Bonds9

About 3-(diethylsulfamoyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide

3-(diethylsulfamoyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide (PubChem CID 42922984) has the molecular formula C23H27FN4O4S and a molecular weight of 474.56 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide
PubChem CID42922984
Molecular FormulaC23H27FN4O4S
Molecular Weight474.56 g/mol
Exact Mass474.17
IUPAC Name3-(diethylsulfamoyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NC(c2ccc(F)cc2)c2nccn2C)ccc1OC
InChIInChI=1S/C23H27FN4O4S/c1-5-28(6-2)33(30,31)20-15-17(9-12-19(20)32-4)23(29)26-21(22-25-13-14-27(22)3)16-7-10-18(24)11-8-16/h7-15,21H,5-6H2,1-4H3,(H,26,29)
InChIKeyIRBFLRDLCZLPPI-UHFFFAOYSA-N
XLogP3.12
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-hexoxy-3-methoxybenzamide
CID 55452675
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
CID 46516165
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4-dimethylbenzamide
CID 25367440
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethoxybenzamide
CID 46631561
3,4-dimethoxy-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46528524
3,5-dichloro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide
CID 42921444
4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxy-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 25350304
4-fluoro-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 51269372
4-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzene-1,4-dicarboxamide
CID 51272974
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-iodobenzamide
CID 46685190
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 26078376
2-[(S)-(diethylsulfamoylamino)-(4-fluorophenyl)methyl]-1-methylimidazole
CID 31080259

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide (CID 42922984) is 3-(diethylsulfamoyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)NC(c2ccc(F)cc2)c2nccn2C)ccc1OC.
What is the InChIKey of 3-(diethylsulfamoyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide?
The InChIKey is IRBFLRDLCZLPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O4S/c1-5-28(6-2)33(30,31)20-15-17(9-12-19(20)32-4)23(29)26-21(22-25-13-14-27(22)3)16-7-10-18(24)11-8-16/h7-15,21H,5-6H2,1-4H3,(H,26,29).
What are the key properties of 3-(diethylsulfamoyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide?
3-(diethylsulfamoyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide has a molecular weight of 474.56 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide is sourced from PubChem (CID 42922984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).