N-[4-(butan-2-ylsulfamoyl)phenyl]-2-(2,4-ditert-butylphenoxy)acetamide

C26H38N2O4S — CID 17160244

IUPACN-[4-(butan-2-ylsulfamoyl)phenyl]-2-(2,4-ditert-butylphenoxy)acetamide
SMILESCCC(C)NS(=O)(=O)c1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)cc1
InChIInChI=1S/C26H38N2O4S/c1-9-18(2)28-33(30,31)21-13-11-20(12-14-21)27-24(29)17-32-23-15-10-19(25(3,4)5)16-22(23)26(6,7)8/h10-16,18,28H,9,17H2,1-8H3,(H,27,29)
InChIKeyWQCWNITYHJBHGG-UHFFFAOYSA-N
MW474.67 g/mol
LogP5.38
Rot. Bonds8

About N-[4-(butan-2-ylsulfamoyl)phenyl]-2-(2,4-ditert-butylphenoxy)acetamide

N-[4-(butan-2-ylsulfamoyl)phenyl]-2-(2,4-ditert-butylphenoxy)acetamide (PubChem CID 17160244) has the molecular formula C26H38N2O4S and a molecular weight of 474.67 g/mol. Its IUPAC name is N-[4-(butan-2-ylsulfamoyl)phenyl]-2-(2,4-ditert-butylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(butan-2-ylsulfamoyl)phenyl]-2-(2,4-ditert-butylphenoxy)acetamide
PubChem CID17160244
Molecular FormulaC26H38N2O4S
Molecular Weight474.67 g/mol
Exact Mass474.26
IUPAC NameN-[4-(butan-2-ylsulfamoyl)phenyl]-2-(2,4-ditert-butylphenoxy)acetamide
SMILESCCC(C)NS(=O)(=O)c1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)cc1
InChIInChI=1S/C26H38N2O4S/c1-9-18(2)28-33(30,31)21-13-11-20(12-14-21)27-24(29)17-32-23-15-10-19(25(3,4)5)16-22(23)26(6,7)8/h10-16,18,28H,9,17H2,1-8H3,(H,27,29)
InChIKeyWQCWNITYHJBHGG-UHFFFAOYSA-N
XLogP5.38
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.67
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-tert-butylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 17050661
2-(2,4-ditert-butylphenoxy)-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide
CID 54783172
N-[4-(butan-2-ylsulfamoyl)phenyl]-2-ethoxyacetamide
CID 4530095
propyl 4-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]benzoate
CID 17356495
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 126212081
N-(4-bromophenyl)-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide
CID 1287541
2-(2,4-ditert-butylphenoxy)-N-(4-phenoxyphenyl)acetamide
CID 17356474
2-(2-tert-butylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 17050626
N-butan-2-yl-2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]benzamide
CID 17151289
2-(4-bromo-2-tert-butylphenoxy)-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 17051609
2-(4-bromo-2-tert-butylphenoxy)-N-[4-(prop-2-enylsulfamoyl)phenyl]acetamide
CID 17051628
2-(2-tert-butylphenoxy)-N-[4-(pyridin-1-ium-2-ylsulfamoyl)phenyl]acetamide
CID 5225702

Frequently Asked Questions

What is the IUPAC name of N-[4-(butan-2-ylsulfamoyl)phenyl]-2-(2,4-ditert-butylphenoxy)acetamide?
The IUPAC name of N-[4-(butan-2-ylsulfamoyl)phenyl]-2-(2,4-ditert-butylphenoxy)acetamide (CID 17160244) is N-[4-(butan-2-ylsulfamoyl)phenyl]-2-(2,4-ditert-butylphenoxy)acetamide.
What is the SMILES notation for N-[4-(butan-2-ylsulfamoyl)phenyl]-2-(2,4-ditert-butylphenoxy)acetamide?
The canonical SMILES for N-[4-(butan-2-ylsulfamoyl)phenyl]-2-(2,4-ditert-butylphenoxy)acetamide is CCC(C)NS(=O)(=O)c1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)cc1.
What is the InChIKey of N-[4-(butan-2-ylsulfamoyl)phenyl]-2-(2,4-ditert-butylphenoxy)acetamide?
The InChIKey is WQCWNITYHJBHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2O4S/c1-9-18(2)28-33(30,31)21-13-11-20(12-14-21)27-24(29)17-32-23-15-10-19(25(3,4)5)16-22(23)26(6,7)8/h10-16,18,28H,9,17H2,1-8H3,(H,27,29).
What are the key properties of N-[4-(butan-2-ylsulfamoyl)phenyl]-2-(2,4-ditert-butylphenoxy)acetamide?
N-[4-(butan-2-ylsulfamoyl)phenyl]-2-(2,4-ditert-butylphenoxy)acetamide has a molecular weight of 474.67 g/mol, XLogP of 5.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butan-2-ylsulfamoyl)phenyl]-2-(2,4-ditert-butylphenoxy)acetamide is sourced from PubChem (CID 17160244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).