N-[2-(tert-butylsulfamoyl)phenyl]-2-(2-phenylethoxy)acetamide

C20H26N2O4S — CID 86872196

IUPACN-[2-(tert-butylsulfamoyl)phenyl]-2-(2-phenylethoxy)acetamide
SMILESCC(C)(C)NS(=O)(=O)c1ccccc1NC(=O)COCCc1ccccc1
InChIInChI=1S/C20H26N2O4S/c1-20(2,3)22-27(24,25)18-12-8-7-11-17(18)21-19(23)15-26-14-13-16-9-5-4-6-10-16/h4-12,22H,13-15H2,1-3H3,(H,21,23)
InChIKeyIZZCLSXHUYNNNM-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.96
Rot. Bonds8

About N-[2-(tert-butylsulfamoyl)phenyl]-2-(2-phenylethoxy)acetamide

N-[2-(tert-butylsulfamoyl)phenyl]-2-(2-phenylethoxy)acetamide (PubChem CID 86872196) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[2-(tert-butylsulfamoyl)phenyl]-2-(2-phenylethoxy)acetamide.

Molecular Properties

Compound NameN-[2-(tert-butylsulfamoyl)phenyl]-2-(2-phenylethoxy)acetamide
PubChem CID86872196
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-[2-(tert-butylsulfamoyl)phenyl]-2-(2-phenylethoxy)acetamide
SMILESCC(C)(C)NS(=O)(=O)c1ccccc1NC(=O)COCCc1ccccc1
InChIInChI=1S/C20H26N2O4S/c1-20(2,3)22-27(24,25)18-12-8-7-11-17(18)21-19(23)15-26-14-13-16-9-5-4-6-10-16/h4-12,22H,13-15H2,1-3H3,(H,21,23)
InChIKeyIZZCLSXHUYNNNM-UHFFFAOYSA-N
XLogP2.96
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.96
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-[2-(tert-butylsulfamoyl)phenyl]-2-cyanoacetamide
CID 168521035
2-methyl-2-[[2-(2-phenylethoxy)acetyl]amino]propanoic acid
CID 119187691
N-(2,6-dimethylphenyl)-2-(2-phenylethoxy)acetamide
CID 86871191
3,4-dimethoxy-5-[[2-(2-phenylethoxy)acetyl]amino]benzoic acid
CID 119214379
4-methyl-4-[[2-(2-phenylethoxy)acetyl]amino]pentanoic acid
CID 119204238
N-(2-amino-2-ethylbutyl)-2-(2-phenylethoxy)acetamide
CID 119643311
2-(2-phenylethoxy)-N-quinolin-5-ylacetamide
CID 86871261
N-(5-amino-2-chlorophenyl)-2-(2-phenylethoxy)acetamide
CID 43376858
N-[2-(tert-butylsulfamoyl)phenyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86840883
N-[2-[(4-propylphenyl)sulfamoyl]phenyl]propanamide
CID 142971954
2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]benzenesulfonyl fluoride
CID 103213870
trans-(1S,2S)-N-[2-(tert-butylsulfamoyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 97023057

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylsulfamoyl)phenyl]-2-(2-phenylethoxy)acetamide?
The IUPAC name of N-[2-(tert-butylsulfamoyl)phenyl]-2-(2-phenylethoxy)acetamide (CID 86872196) is N-[2-(tert-butylsulfamoyl)phenyl]-2-(2-phenylethoxy)acetamide.
What is the SMILES notation for N-[2-(tert-butylsulfamoyl)phenyl]-2-(2-phenylethoxy)acetamide?
The canonical SMILES for N-[2-(tert-butylsulfamoyl)phenyl]-2-(2-phenylethoxy)acetamide is CC(C)(C)NS(=O)(=O)c1ccccc1NC(=O)COCCc1ccccc1.
What is the InChIKey of N-[2-(tert-butylsulfamoyl)phenyl]-2-(2-phenylethoxy)acetamide?
The InChIKey is IZZCLSXHUYNNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-20(2,3)22-27(24,25)18-12-8-7-11-17(18)21-19(23)15-26-14-13-16-9-5-4-6-10-16/h4-12,22H,13-15H2,1-3H3,(H,21,23).
What are the key properties of N-[2-(tert-butylsulfamoyl)phenyl]-2-(2-phenylethoxy)acetamide?
N-[2-(tert-butylsulfamoyl)phenyl]-2-(2-phenylethoxy)acetamide has a molecular weight of 390.51 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylsulfamoyl)phenyl]-2-(2-phenylethoxy)acetamide is sourced from PubChem (CID 86872196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).