5-(diethylsulfamoyl)-2-fluoro-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide

C22H29FN2O4S — CID 55395143

IUPAC5-(diethylsulfamoyl)-2-fluoro-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NC(c2ccc(OC)cc2)C(C)C)c1
InChIInChI=1S/C22H29FN2O4S/c1-6-25(7-2)30(27,28)18-12-13-20(23)19(14-18)22(26)24-21(15(3)4)16-8-10-17(29-5)11-9-16/h8-15,21H,6-7H2,1-5H3,(H,24,26)
InChIKeyPUAPWEOHYKBYIA-UHFFFAOYSA-N
MW436.55 g/mol
LogP3.99
Rot. Bonds9

About 5-(diethylsulfamoyl)-2-fluoro-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide

5-(diethylsulfamoyl)-2-fluoro-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide (PubChem CID 55395143) has the molecular formula C22H29FN2O4S and a molecular weight of 436.55 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-2-fluoro-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-2-fluoro-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide
PubChem CID55395143
Molecular FormulaC22H29FN2O4S
Molecular Weight436.55 g/mol
Exact Mass436.18
IUPAC Name5-(diethylsulfamoyl)-2-fluoro-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NC(c2ccc(OC)cc2)C(C)C)c1
InChIInChI=1S/C22H29FN2O4S/c1-6-25(7-2)30(27,28)18-12-13-20(23)19(14-18)22(26)24-21(15(3)4)16-8-10-17(29-5)11-9-16/h8-15,21H,6-7H2,1-5H3,(H,24,26)
InChIKeyPUAPWEOHYKBYIA-UHFFFAOYSA-N
XLogP3.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(diethylsulfamoyl)-2-fluoro-N-[1-(4-methoxyphenyl)-2-methylpropyl]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-(diethylsulfamoyl)-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 9048652
2-fluoro-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 9048819
5-(diethylsulfamoyl)-2-fluoro-N-(3-methoxyphenyl)benzamide
CID 26914540
(4-methoxyphenyl)methyl 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 16578035
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-methoxybenzamide
CID 51151516
(4-methoxycarbonylphenyl) 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 8961276
2,5-dichloro-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 27830567
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide
CID 125044817
4-(dimethylsulfamoyl)-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 9048728
5-(diethylsulfamoyl)-2-fluoro-N-[(2R)-2-phenylpropyl]benzamide
CID 9301737
[(1R)-1-(4-fluorophenyl)ethyl] 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 7252993
5-[ethyl(2-methylpropyl)sulfamoyl]-2-fluorobenzoic acid
CID 43273627

Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-2-fluoro-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide?
The IUPAC name of 5-(diethylsulfamoyl)-2-fluoro-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide (CID 55395143) is 5-(diethylsulfamoyl)-2-fluoro-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-2-fluoro-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide?
The canonical SMILES for 5-(diethylsulfamoyl)-2-fluoro-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NC(c2ccc(OC)cc2)C(C)C)c1.
What is the InChIKey of 5-(diethylsulfamoyl)-2-fluoro-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide?
The InChIKey is PUAPWEOHYKBYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2O4S/c1-6-25(7-2)30(27,28)18-12-13-20(23)19(14-18)22(26)24-21(15(3)4)16-8-10-17(29-5)11-9-16/h8-15,21H,6-7H2,1-5H3,(H,24,26).
What are the key properties of 5-(diethylsulfamoyl)-2-fluoro-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide?
5-(diethylsulfamoyl)-2-fluoro-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide has a molecular weight of 436.55 g/mol, XLogP of 3.99, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-2-fluoro-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide is sourced from PubChem (CID 55395143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).