ethyl 4-[[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]sulfamoyl]benzoate

C21H28N2O4S — CID 51969738

IUPACethyl 4-[[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]sulfamoyl]benzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)NC[C@@H](c2ccc(CC)cc2)N(C)C)cc1
InChIInChI=1S/C21H28N2O4S/c1-5-16-7-9-17(10-8-16)20(23(3)4)15-22-28(25,26)19-13-11-18(12-14-19)21(24)27-6-2/h7-14,20,22H,5-6,15H2,1-4H3/t20-/m0/s1
InChIKeyORAZKKZKTFXFLA-FQEVSTJZSA-N
MW404.53 g/mol
LogP3.01
Rot. Bonds9

About ethyl 4-[[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]sulfamoyl]benzoate

ethyl 4-[[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]sulfamoyl]benzoate (PubChem CID 51969738) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is ethyl 4-[[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]sulfamoyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]sulfamoyl]benzoate
PubChem CID51969738
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Nameethyl 4-[[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]sulfamoyl]benzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)NC[C@@H](c2ccc(CC)cc2)N(C)C)cc1
InChIInChI=1S/C21H28N2O4S/c1-5-16-7-9-17(10-8-16)20(23(3)4)15-22-28(25,26)19-13-11-18(12-14-19)21(24)27-6-2/h7-14,20,22H,5-6,15H2,1-4H3/t20-/m0/s1
InChIKeyORAZKKZKTFXFLA-FQEVSTJZSA-N
XLogP3.01
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]sulfamoyl]benzoate with MolForge

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Related Compounds

N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 51169696
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 51169700
ethyl 4-[[4-[(dimethylamino)methyl]phenyl]methylsulfamoyl]benzoate
CID 9191366
3-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]benzene-1,3-disulfonamide
CID 55512101
ethyl 4-(2-hydroxypentylsulfamoyl)benzoate
CID 115754497
4-acetyl-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide
CID 4883799
4-(tert-butylsulfamoyl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]benzamide
CID 24640211
ethyl 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzoate
CID 12945833
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110419561
3-[(4-chlorophenyl)sulfonylamino]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide
CID 24640206
ethyl 4-(hydrazinesulfonyl)benzoate
CID 19755145
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 45003216

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]sulfamoyl]benzoate?
The IUPAC name of ethyl 4-[[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]sulfamoyl]benzoate (CID 51969738) is ethyl 4-[[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]sulfamoyl]benzoate.
What is the SMILES notation for ethyl 4-[[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]sulfamoyl]benzoate?
The canonical SMILES for ethyl 4-[[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]sulfamoyl]benzoate is CCOC(=O)c1ccc(S(=O)(=O)NC[C@@H](c2ccc(CC)cc2)N(C)C)cc1.
What is the InChIKey of ethyl 4-[[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]sulfamoyl]benzoate?
The InChIKey is ORAZKKZKTFXFLA-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-5-16-7-9-17(10-8-16)20(23(3)4)15-22-28(25,26)19-13-11-18(12-14-19)21(24)27-6-2/h7-14,20,22H,5-6,15H2,1-4H3/t20-/m0/s1.
What are the key properties of ethyl 4-[[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]sulfamoyl]benzoate?
ethyl 4-[[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]sulfamoyl]benzoate has a molecular weight of 404.53 g/mol, XLogP of 3.01, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]sulfamoyl]benzoate is sourced from PubChem (CID 51969738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).