2-(2-tert-butylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide

C21H28N2O4S — CID 17050661

IUPAC2-(2-tert-butylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)COc2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C21H28N2O4S/c1-15(2)23-28(25,26)17-12-10-16(11-13-17)22-20(24)14-27-19-9-7-6-8-18(19)21(3,4)5/h6-13,15,23H,14H2,1-5H3,(H,22,24)
InChIKeyFQGHYILRAIVEOX-UHFFFAOYSA-N
MW404.53 g/mol
LogP3.69
Rot. Bonds7

About 2-(2-tert-butylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide

2-(2-tert-butylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 17050661) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
PubChem CID17050661
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name2-(2-tert-butylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)COc2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C21H28N2O4S/c1-15(2)23-28(25,26)17-12-10-16(11-13-17)22-20(24)14-27-19-9-7-6-8-18(19)21(3,4)5/h6-13,15,23H,14H2,1-5H3,(H,22,24)
InChIKeyFQGHYILRAIVEOX-UHFFFAOYSA-N
XLogP3.69
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-tert-butylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 17050626
2-(2-tert-butylphenoxy)-N-[4-(pyridin-1-ium-2-ylsulfamoyl)phenyl]acetamide
CID 5225702
2-(2-tert-butylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 17050654
N-[4-(butan-2-ylsulfamoyl)phenyl]-2-(2,4-ditert-butylphenoxy)acetamide
CID 17160244
2-(2-tert-butylphenoxy)-N-[4-(dipropylsulfamoyl)phenyl]acetamide
CID 17050666
2-(2-bromo-4-phenylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 4960689
2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-phenylacetamide
CID 1265933
4-tert-butyl-N-[4-[[2-(2-tert-butylphenoxy)acetyl]amino]phenyl]benzamide
CID 17235093
N-[3-[[2-(2-tert-butylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide
CID 17189278
3-(2-methylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 9219325
2-(4-acetyl-2-methoxyphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 8752748
N-[4-(methylsulfamoyl)phenyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 9219528

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(2-tert-butylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide (CID 17050661) is 2-(2-tert-butylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-tert-butylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(2-tert-butylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide is CC(C)NS(=O)(=O)c1ccc(NC(=O)COc2ccccc2C(C)(C)C)cc1.
What is the InChIKey of 2-(2-tert-butylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is FQGHYILRAIVEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-15(2)23-28(25,26)17-12-10-16(11-13-17)22-20(24)14-27-19-9-7-6-8-18(19)21(3,4)5/h6-13,15,23H,14H2,1-5H3,(H,22,24).
What are the key properties of 2-(2-tert-butylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide?
2-(2-tert-butylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 404.53 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 17050661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).