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

C24H26N2O4S — CID 17050626

IUPAC2-(2-tert-butylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]acetamide
SMILESCC(C)(C)c1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C24H26N2O4S/c1-24(2,3)21-11-7-8-12-22(21)30-17-23(27)25-18-13-15-20(16-14-18)31(28,29)26-19-9-5-4-6-10-19/h4-16,26H,17H2,1-3H3,(H,25,27)
InChIKeyVBNPRMURRPPWTM-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.80
Rot. Bonds7

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

2-(2-tert-butylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]acetamide (PubChem CID 17050626) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]acetamide
PubChem CID17050626
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC Name2-(2-tert-butylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]acetamide
SMILESCC(C)(C)c1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C24H26N2O4S/c1-24(2,3)21-11-7-8-12-22(21)30-17-23(27)25-18-13-15-20(16-14-18)31(28,29)26-19-9-5-4-6-10-19/h4-16,26H,17H2,1-3H3,(H,25,27)
InChIKeyVBNPRMURRPPWTM-UHFFFAOYSA-N
XLogP4.80
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.80
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-tert-butylphenoxy)-N-[4-(pyridin-1-ium-2-ylsulfamoyl)phenyl]acetamide
CID 5225702
2-(2-tert-butylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 17050654
2-phenoxy-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 5157338
2-(2-tert-butylphenoxy)-N-[4-(dipropylsulfamoyl)phenyl]acetamide
CID 17050666
4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-4-oxo-N-phenylbutanamide
CID 17050893
2-(4-bromo-2-tert-butylphenoxy)-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 17051609
4-tert-butyl-N-[4-[[2-(2-tert-butylphenoxy)acetyl]amino]phenyl]benzamide
CID 17235093
2-(2-tert-butyl-4-methoxyphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 35271119
N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)acetamide
CID 1013137
3-[[2-(2-tert-butylphenoxy)acetyl]amino]benzoate
CID 5123909
2-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-phenylbenzamide
CID 17050635

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(2-tert-butylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]acetamide (CID 17050626) is 2-(2-tert-butylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-tert-butylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(2-tert-butylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]acetamide is CC(C)(C)c1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of 2-(2-tert-butylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]acetamide?
The InChIKey is VBNPRMURRPPWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-24(2,3)21-11-7-8-12-22(21)30-17-23(27)25-18-13-15-20(16-14-18)31(28,29)26-19-9-5-4-6-10-19/h4-16,26H,17H2,1-3H3,(H,25,27).
What are the key properties of 2-(2-tert-butylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]acetamide?
2-(2-tert-butylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]acetamide has a molecular weight of 438.55 g/mol, XLogP of 4.80, 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-(phenylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 17050626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).