N-[4-(tert-butylcarbamoyl)phenyl]-5-(diethylsulfamoyl)-2-fluorobenzamide

C22H28FN3O4S — CID 38255118

IUPACN-[4-(tert-butylcarbamoyl)phenyl]-5-(diethylsulfamoyl)-2-fluorobenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)c1
InChIInChI=1S/C22H28FN3O4S/c1-6-26(7-2)31(29,30)17-12-13-19(23)18(14-17)21(28)24-16-10-8-15(9-11-16)20(27)25-22(3,4)5/h8-14H,6-7H2,1-5H3,(H,24,28)(H,25,27)
InChIKeyBCUQZGUKXISJBX-UHFFFAOYSA-N
MW449.55 g/mol
LogP3.64
Rot. Bonds7

About N-[4-(tert-butylcarbamoyl)phenyl]-5-(diethylsulfamoyl)-2-fluorobenzamide

N-[4-(tert-butylcarbamoyl)phenyl]-5-(diethylsulfamoyl)-2-fluorobenzamide (PubChem CID 38255118) has the molecular formula C22H28FN3O4S and a molecular weight of 449.55 g/mol. Its IUPAC name is N-[4-(tert-butylcarbamoyl)phenyl]-5-(diethylsulfamoyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(tert-butylcarbamoyl)phenyl]-5-(diethylsulfamoyl)-2-fluorobenzamide
PubChem CID38255118
Molecular FormulaC22H28FN3O4S
Molecular Weight449.55 g/mol
Exact Mass449.18
IUPAC NameN-[4-(tert-butylcarbamoyl)phenyl]-5-(diethylsulfamoyl)-2-fluorobenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)c1
InChIInChI=1S/C22H28FN3O4S/c1-6-26(7-2)31(29,30)17-12-13-19(23)18(14-17)21(28)24-16-10-8-15(9-11-16)20(27)25-22(3,4)5/h8-14H,6-7H2,1-5H3,(H,24,28)(H,25,27)
InChIKeyBCUQZGUKXISJBX-UHFFFAOYSA-N
XLogP3.64
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-4-[[4-(diethylsulfamoyl)benzoyl]amino]benzamide
CID 38253660
5-(diethylsulfamoyl)-2-fluoro-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 26289053
4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
5-[benzyl(ethyl)sulfamoyl]-N-(4-ethylphenyl)-2-fluorobenzamide
CID 5153096
5-(diethylsulfamoyl)-N-(2,6-difluorophenyl)-2-fluorobenzamide
CID 51158899
N-[2-(tert-butylamino)-2-oxoethyl]-5-(diethylsulfamoyl)-N-ethyl-2-fluorobenzamide
CID 35362085
5-(diethylsulfamoyl)-N-[3-(dimethylcarbamoyl)phenyl]-2-fluorobenzamide
CID 29331887
5-(diethylsulfamoyl)-2-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 26700730
5-(diethylsulfamoyl)-2-fluoro-N-(3-methoxyphenyl)benzamide
CID 26914540
N-tert-butyl-2-chloro-5-(diethylsulfamoyl)benzamide
CID 2404438
5-(diethylsulfamoyl)-2-fluoro-N-(2,4,6-trimethylphenyl)benzamide
CID 26085905
N-(4-acetamidophenyl)-4-(diethylsulfamoyl)benzamide
CID 7940158

Frequently Asked Questions

What is the IUPAC name of N-[4-(tert-butylcarbamoyl)phenyl]-5-(diethylsulfamoyl)-2-fluorobenzamide?
The IUPAC name of N-[4-(tert-butylcarbamoyl)phenyl]-5-(diethylsulfamoyl)-2-fluorobenzamide (CID 38255118) is N-[4-(tert-butylcarbamoyl)phenyl]-5-(diethylsulfamoyl)-2-fluorobenzamide.
What is the SMILES notation for N-[4-(tert-butylcarbamoyl)phenyl]-5-(diethylsulfamoyl)-2-fluorobenzamide?
The canonical SMILES for N-[4-(tert-butylcarbamoyl)phenyl]-5-(diethylsulfamoyl)-2-fluorobenzamide is CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)c1.
What is the InChIKey of N-[4-(tert-butylcarbamoyl)phenyl]-5-(diethylsulfamoyl)-2-fluorobenzamide?
The InChIKey is BCUQZGUKXISJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O4S/c1-6-26(7-2)31(29,30)17-12-13-19(23)18(14-17)21(28)24-16-10-8-15(9-11-16)20(27)25-22(3,4)5/h8-14H,6-7H2,1-5H3,(H,24,28)(H,25,27).
What are the key properties of N-[4-(tert-butylcarbamoyl)phenyl]-5-(diethylsulfamoyl)-2-fluorobenzamide?
N-[4-(tert-butylcarbamoyl)phenyl]-5-(diethylsulfamoyl)-2-fluorobenzamide has a molecular weight of 449.55 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(tert-butylcarbamoyl)phenyl]-5-(diethylsulfamoyl)-2-fluorobenzamide is sourced from PubChem (CID 38255118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).