N-[4-[[2-(3-fluorophenyl)acetyl]sulfamoyl]phenyl]-2,2-dimethylpropanamide

C19H21FN2O4S — CID 155952127

IUPACN-[4-[[2-(3-fluorophenyl)acetyl]sulfamoyl]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(S(=O)(=O)NC(=O)Cc2cccc(F)c2)cc1
InChIInChI=1S/C19H21FN2O4S/c1-19(2,3)18(24)21-15-7-9-16(10-8-15)27(25,26)22-17(23)12-13-5-4-6-14(20)11-13/h4-11H,12H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyGRKJVXLAFWPVEX-UHFFFAOYSA-N
MW392.45 g/mol
LogP2.86
Rot. Bonds5

About N-[4-[[2-(3-fluorophenyl)acetyl]sulfamoyl]phenyl]-2,2-dimethylpropanamide

N-[4-[[2-(3-fluorophenyl)acetyl]sulfamoyl]phenyl]-2,2-dimethylpropanamide (PubChem CID 155952127) has the molecular formula C19H21FN2O4S and a molecular weight of 392.45 g/mol. Its IUPAC name is N-[4-[[2-(3-fluorophenyl)acetyl]sulfamoyl]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[[2-(3-fluorophenyl)acetyl]sulfamoyl]phenyl]-2,2-dimethylpropanamide
PubChem CID155952127
Molecular FormulaC19H21FN2O4S
Molecular Weight392.45 g/mol
Exact Mass392.12
IUPAC NameN-[4-[[2-(3-fluorophenyl)acetyl]sulfamoyl]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(S(=O)(=O)NC(=O)Cc2cccc(F)c2)cc1
InChIInChI=1S/C19H21FN2O4S/c1-19(2,3)18(24)21-15-7-9-16(10-8-15)27(25,26)22-17(23)12-13-5-4-6-14(20)11-13/h4-11H,12H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyGRKJVXLAFWPVEX-UHFFFAOYSA-N
XLogP2.86
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(3-fluorophenyl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 55538744
4-[[2-(3-fluorophenyl)acetyl]amino]benzoic acid
CID 18070264
N-[4-(acetylsulfamoyl)phenyl]-2-(4-fluorophenyl)acetamide
CID 3379076
2-(3-fluorophenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9107367
N-(4-acetylphenyl)-2-(3-fluorophenyl)acetamide
CID 8023465
N-[4-(butylamino)phenyl]-2-(3-fluorophenyl)acetamide
CID 112980257
N-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 1026291
2-(4-fluorophenyl)-N-(4-fluorophenyl)sulfonylacetamide
CID 56683687
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(3-fluorophenyl)acetate
CID 8589912
N-[(3-fluorophenyl)methyl]-4-(methylamino)benzenesulfonamide
CID 43332122
2-(3-fluorophenyl)-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]acetamide
CID 135149146
2-(3-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 78800383

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(3-fluorophenyl)acetyl]sulfamoyl]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[[2-(3-fluorophenyl)acetyl]sulfamoyl]phenyl]-2,2-dimethylpropanamide (CID 155952127) is N-[4-[[2-(3-fluorophenyl)acetyl]sulfamoyl]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[[2-(3-fluorophenyl)acetyl]sulfamoyl]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[[2-(3-fluorophenyl)acetyl]sulfamoyl]phenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)NC(=O)Cc2cccc(F)c2)cc1.
What is the InChIKey of N-[4-[[2-(3-fluorophenyl)acetyl]sulfamoyl]phenyl]-2,2-dimethylpropanamide?
The InChIKey is GRKJVXLAFWPVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4S/c1-19(2,3)18(24)21-15-7-9-16(10-8-15)27(25,26)22-17(23)12-13-5-4-6-14(20)11-13/h4-11H,12H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of N-[4-[[2-(3-fluorophenyl)acetyl]sulfamoyl]phenyl]-2,2-dimethylpropanamide?
N-[4-[[2-(3-fluorophenyl)acetyl]sulfamoyl]phenyl]-2,2-dimethylpropanamide has a molecular weight of 392.45 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(3-fluorophenyl)acetyl]sulfamoyl]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 155952127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).