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

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

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

Launch Full Analysis

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).