4-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-N,N-dimethylbenzamide;hydrochloride

C20H28ClN3O3S — CID 120709297

IUPAC4-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-N,N-dimethylbenzamide;hydrochloride
SMILESCC(C)c1ccc(C(N)CNS(=O)(=O)c2ccc(C(=O)N(C)C)cc2)cc1.Cl
InChIInChI=1S/C20H27N3O3S.ClH/c1-14(2)15-5-7-16(8-6-15)19(21)13-22-27(25,26)18-11-9-17(10-12-18)20(24)23(3)4;/h5-12,14,19,22H,13,21H2,1-4H3;1H
InChIKeyRIRNZAZNJBAQQU-UHFFFAOYSA-N
MW425.98 g/mol
LogP2.91
Rot. Bonds7

About 4-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-N,N-dimethylbenzamide;hydrochloride

4-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-N,N-dimethylbenzamide;hydrochloride (PubChem CID 120709297) has the molecular formula C20H28ClN3O3S and a molecular weight of 425.98 g/mol. Its IUPAC name is 4-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-N,N-dimethylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-N,N-dimethylbenzamide;hydrochloride
PubChem CID120709297
Molecular FormulaC20H28ClN3O3S
Molecular Weight425.98 g/mol
Exact Mass425.15
IUPAC Name4-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-N,N-dimethylbenzamide;hydrochloride
SMILESCC(C)c1ccc(C(N)CNS(=O)(=O)c2ccc(C(=O)N(C)C)cc2)cc1.Cl
InChIInChI=1S/C20H27N3O3S.ClH/c1-14(2)15-5-7-16(8-6-15)19(21)13-22-27(25,26)18-11-9-17(10-12-18)20(24)23(3)4;/h5-12,14,19,22H,13,21H2,1-4H3;1H
InChIKeyRIRNZAZNJBAQQU-UHFFFAOYSA-N
XLogP2.91
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.98
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-aminobutylsulfamoyl)-N,N-dimethylbenzamide;hydrochloride
CID 120708563
N-(2-amino-2-phenylethyl)-4-(2-methylpropylsulfamoyl)benzamide;hydrochloride
CID 119528684
2-[4-(dimethylcarbamoyl)phenyl]propyl 4-propan-2-ylbenzoate
CID 155243194
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]methanesulfonamide
CID 75431092
4-[(4-chlorophenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 7971137
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 45003216
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-methoxy-3-nitrobenzenesulfonamide;hydrochloride
CID 119976053
4-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoic acid
CID 24580861
N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide
CID 31481872
4-[(4-propan-2-ylphenyl)sulfonylamino]benzoic acid
CID 7574220
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-cyanobenzenesulfonamide
CID 119976036
1-(4-propan-2-ylphenyl)-N'-(propan-2-ylsulfamoyl)ethane-1,2-diamine
CID 120874949

Frequently Asked Questions

What is the IUPAC name of 4-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-N,N-dimethylbenzamide;hydrochloride?
The IUPAC name of 4-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-N,N-dimethylbenzamide;hydrochloride (CID 120709297) is 4-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-N,N-dimethylbenzamide;hydrochloride.
What is the SMILES notation for 4-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-N,N-dimethylbenzamide;hydrochloride?
The canonical SMILES for 4-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-N,N-dimethylbenzamide;hydrochloride is CC(C)c1ccc(C(N)CNS(=O)(=O)c2ccc(C(=O)N(C)C)cc2)cc1.Cl.
What is the InChIKey of 4-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-N,N-dimethylbenzamide;hydrochloride?
The InChIKey is RIRNZAZNJBAQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S.ClH/c1-14(2)15-5-7-16(8-6-15)19(21)13-22-27(25,26)18-11-9-17(10-12-18)20(24)23(3)4;/h5-12,14,19,22H,13,21H2,1-4H3;1H.
What are the key properties of 4-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-N,N-dimethylbenzamide;hydrochloride?
4-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-N,N-dimethylbenzamide;hydrochloride has a molecular weight of 425.98 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-N,N-dimethylbenzamide;hydrochloride is sourced from PubChem (CID 120709297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).