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

C23H27FN4O4S — CID 26076287

IUPAC3-(diethylsulfamoyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](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)/t21-/m0/s1
InChIKeyIRBFLRDLCZLPPI-NRFANRHFSA-N
MW474.56 g/mol
LogP3.12
Rot. Bonds9

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

3-(diethylsulfamoyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide (PubChem CID 26076287) has the molecular formula C23H27FN4O4S and a molecular weight of 474.56 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide
PubChem CID26076287
Molecular FormulaC23H27FN4O4S
Molecular Weight474.56 g/mol
Exact Mass474.17
IUPAC Name3-(diethylsulfamoyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](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)/t21-/m0/s1
InChIKeyIRBFLRDLCZLPPI-NRFANRHFSA-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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Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide (CID 26076287) is 3-(diethylsulfamoyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)ccc1OC.
What is the InChIKey of 3-(diethylsulfamoyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide?
The InChIKey is IRBFLRDLCZLPPI-NRFANRHFSA-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)/t21-/m0/s1.
What are the key properties of 3-(diethylsulfamoyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide?
3-(diethylsulfamoyl)-N-[(S)-(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-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide is sourced from PubChem (CID 26076287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).