4-[2-(4-tert-butylphenoxy)ethylsulfamoyl]-N-methylbenzamide

C20H26N2O4S — CID 27302594

IUPAC4-[2-(4-tert-butylphenoxy)ethylsulfamoyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(S(=O)(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H26N2O4S/c1-20(2,3)16-7-9-17(10-8-16)26-14-13-22-27(24,25)18-11-5-15(6-12-18)19(23)21-4/h5-12,22H,13-14H2,1-4H3,(H,21,23)
InChIKeyVIICSXBTKSYVMK-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.70
Rot. Bonds7

About 4-[2-(4-tert-butylphenoxy)ethylsulfamoyl]-N-methylbenzamide

4-[2-(4-tert-butylphenoxy)ethylsulfamoyl]-N-methylbenzamide (PubChem CID 27302594) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 4-[2-(4-tert-butylphenoxy)ethylsulfamoyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[2-(4-tert-butylphenoxy)ethylsulfamoyl]-N-methylbenzamide
PubChem CID27302594
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name4-[2-(4-tert-butylphenoxy)ethylsulfamoyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(S(=O)(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H26N2O4S/c1-20(2,3)16-7-9-17(10-8-16)26-14-13-22-27(24,25)18-11-5-15(6-12-18)19(23)21-4/h5-12,22H,13-14H2,1-4H3,(H,21,23)
InChIKeyVIICSXBTKSYVMK-UHFFFAOYSA-N
XLogP2.70
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-[2-(methylamino)ethoxy]benzamide
CID 19915722
N-[2-(4-chlorophenoxy)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 34190671
4-[2-(2-methoxyethylamino)ethylsulfamoyl]-N-methylbenzamide
CID 83036729
N-[5-[2-(4-tert-butylphenoxy)ethylsulfamoyl]-2-methoxyphenyl]acetamide
CID 8801525
4-tert-butyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 113099165
N-[2-(4-tert-butylphenoxy)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 113100545
N-(4-ethoxyphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 34677141
4-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzenesulfonamide
CID 3127035
[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9125919
N-[4-[2-(4-methylphenoxy)ethylsulfamoyl]phenyl]acetamide
CID 2604521
N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-3,5-dimethoxybenzamide
CID 108571354
4-heptoxy-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 4950690

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-tert-butylphenoxy)ethylsulfamoyl]-N-methylbenzamide?
The IUPAC name of 4-[2-(4-tert-butylphenoxy)ethylsulfamoyl]-N-methylbenzamide (CID 27302594) is 4-[2-(4-tert-butylphenoxy)ethylsulfamoyl]-N-methylbenzamide.
What is the SMILES notation for 4-[2-(4-tert-butylphenoxy)ethylsulfamoyl]-N-methylbenzamide?
The canonical SMILES for 4-[2-(4-tert-butylphenoxy)ethylsulfamoyl]-N-methylbenzamide is CNC(=O)c1ccc(S(=O)(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-[2-(4-tert-butylphenoxy)ethylsulfamoyl]-N-methylbenzamide?
The InChIKey is VIICSXBTKSYVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-20(2,3)16-7-9-17(10-8-16)26-14-13-22-27(24,25)18-11-5-15(6-12-18)19(23)21-4/h5-12,22H,13-14H2,1-4H3,(H,21,23).
What are the key properties of 4-[2-(4-tert-butylphenoxy)ethylsulfamoyl]-N-methylbenzamide?
4-[2-(4-tert-butylphenoxy)ethylsulfamoyl]-N-methylbenzamide has a molecular weight of 390.51 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-tert-butylphenoxy)ethylsulfamoyl]-N-methylbenzamide is sourced from PubChem (CID 27302594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).