N-(3-amino-2,2-dimethylpropyl)-4-[(2-fluorophenyl)sulfamoyl]-N-methylbenzamide

C19H24FN3O3S — CID 119656595

IUPACN-(3-amino-2,2-dimethylpropyl)-4-[(2-fluorophenyl)sulfamoyl]-N-methylbenzamide
SMILESCN(CC(C)(C)CN)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C19H24FN3O3S/c1-19(2,12-21)13-23(3)18(24)14-8-10-15(11-9-14)27(25,26)22-17-7-5-4-6-16(17)20/h4-11,22H,12-13,21H2,1-3H3
InChIKeyZPDXXGUYFYRFJL-UHFFFAOYSA-N
MW393.48 g/mol
LogP2.68
Rot. Bonds7

About N-(3-amino-2,2-dimethylpropyl)-4-[(2-fluorophenyl)sulfamoyl]-N-methylbenzamide

N-(3-amino-2,2-dimethylpropyl)-4-[(2-fluorophenyl)sulfamoyl]-N-methylbenzamide (PubChem CID 119656595) has the molecular formula C19H24FN3O3S and a molecular weight of 393.48 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-4-[(2-fluorophenyl)sulfamoyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-4-[(2-fluorophenyl)sulfamoyl]-N-methylbenzamide
PubChem CID119656595
Molecular FormulaC19H24FN3O3S
Molecular Weight393.48 g/mol
Exact Mass393.15
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-4-[(2-fluorophenyl)sulfamoyl]-N-methylbenzamide
SMILESCN(CC(C)(C)CN)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C19H24FN3O3S/c1-19(2,12-21)13-23(3)18(24)14-8-10-15(11-9-14)27(25,26)22-17-7-5-4-6-16(17)20/h4-11,22H,12-13,21H2,1-3H3
InChIKeyZPDXXGUYFYRFJL-UHFFFAOYSA-N
XLogP2.68
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-amino-2,2-dimethylpropyl)-4-[(2-fluorophenyl)sulfamoyl]-N-methylbenzamide 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

N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(propan-2-ylsulfamoyl)benzamide
CID 119656163
1-(3-amino-2,2-dimethylpropyl)-3-(2-fluorophenyl)-1-methylurea
CID 79652509
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(pyridin-4-ylsulfamoyl)benzamide;dihydrochloride
CID 119656862
N-(3-amino-2,2-dimethylpropyl)-4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-methylbenzamide
CID 119655900
N-ethyl-N-(2-ethylbutyl)-4-[(2-fluorophenyl)sulfamoyl]benzamide
CID 39482944
N-(3-amino-2,2-dimethylpropyl)-4-(2-methoxyethylsulfamoyl)-N-methylbenzamide;hydrochloride
CID 119654430
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 119653300
4-[(2-fluorophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 37064232
N-(3-amino-2,2-dimethylpropyl)-2-(ethylsulfonylamino)-N-methylbenzamide
CID 119656314
4-[(2-fluorophenyl)sulfamoyl]-N-[3-(N-methylanilino)propyl]benzamide
CID 43017074
4-N-(3-amino-2,2-dimethylpropyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 119656143
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(propylsulfonylamino)benzamide;hydrochloride
CID 119652704

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-4-[(2-fluorophenyl)sulfamoyl]-N-methylbenzamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-4-[(2-fluorophenyl)sulfamoyl]-N-methylbenzamide (CID 119656595) is N-(3-amino-2,2-dimethylpropyl)-4-[(2-fluorophenyl)sulfamoyl]-N-methylbenzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-4-[(2-fluorophenyl)sulfamoyl]-N-methylbenzamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-4-[(2-fluorophenyl)sulfamoyl]-N-methylbenzamide is CN(CC(C)(C)CN)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-4-[(2-fluorophenyl)sulfamoyl]-N-methylbenzamide?
The InChIKey is ZPDXXGUYFYRFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3S/c1-19(2,12-21)13-23(3)18(24)14-8-10-15(11-9-14)27(25,26)22-17-7-5-4-6-16(17)20/h4-11,22H,12-13,21H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-4-[(2-fluorophenyl)sulfamoyl]-N-methylbenzamide?
N-(3-amino-2,2-dimethylpropyl)-4-[(2-fluorophenyl)sulfamoyl]-N-methylbenzamide has a molecular weight of 393.48 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-4-[(2-fluorophenyl)sulfamoyl]-N-methylbenzamide is sourced from PubChem (CID 119656595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).