2-(2-tert-butylphenoxy)-N-[4-(pyridin-1-ium-2-ylsulfamoyl)phenyl]acetamide

C23H26N3O4S+ — CID 5225702

IUPAC2-(2-tert-butylphenoxy)-N-[4-(pyridin-1-ium-2-ylsulfamoyl)phenyl]acetamide
SMILESCC(C)(C)c1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc[nH+]2)cc1
InChIInChI=1S/C23H25N3O4S/c1-23(2,3)19-8-4-5-9-20(19)30-16-22(27)25-17-11-13-18(14-12-17)31(28,29)26-21-10-6-7-15-24-21/h4-15H,16H2,1-3H3,(H,24,26)(H,25,27)/p+1
InChIKeyOTUMJFDBGYYBCE-UHFFFAOYSA-O
MW440.55 g/mol
LogP3.62
Rot. Bonds7

About 2-(2-tert-butylphenoxy)-N-[4-(pyridin-1-ium-2-ylsulfamoyl)phenyl]acetamide

2-(2-tert-butylphenoxy)-N-[4-(pyridin-1-ium-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 5225702) has the molecular formula C23H26N3O4S+ and a molecular weight of 440.55 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)-N-[4-(pyridin-1-ium-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)-N-[4-(pyridin-1-ium-2-ylsulfamoyl)phenyl]acetamide
PubChem CID5225702
Molecular FormulaC23H26N3O4S+
Molecular Weight440.55 g/mol
Exact Mass440.16
IUPAC Name2-(2-tert-butylphenoxy)-N-[4-(pyridin-1-ium-2-ylsulfamoyl)phenyl]acetamide
SMILESCC(C)(C)c1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc[nH+]2)cc1
InChIInChI=1S/C23H25N3O4S/c1-23(2,3)19-8-4-5-9-20(19)30-16-22(27)25-17-11-13-18(14-12-17)31(28,29)26-21-10-6-7-15-24-21/h4-15H,16H2,1-3H3,(H,24,26)(H,25,27)/p+1
InChIKeyOTUMJFDBGYYBCE-UHFFFAOYSA-O
XLogP3.62
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 53.62
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-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 17050661
2-(2-tert-butylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 17050654
2-(2-tert-butylphenoxy)-N-[4-(dipropylsulfamoyl)phenyl]acetamide
CID 17050666
2-(2-tert-butyl-4-methoxyphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 35271119
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-(4-acetamidoanilino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 8701080
2-(2-tert-butylphenoxy)-N-(4-methoxy-3-sulfamoylphenyl)acetamide
CID 26782054
N-[4-(butan-2-ylsulfamoyl)phenyl]-2-(2,4-ditert-butylphenoxy)acetamide
CID 17160244
2-(2-tert-butylphenoxy)-N-(6-chloro-3-pyridinyl)acetamide
CID 54787974
2-(2-fluorophenoxy)-N-[4-(methylsulfamoyl)phenyl]acetamide
CID 9219508

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)-N-[4-(pyridin-1-ium-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(2-tert-butylphenoxy)-N-[4-(pyridin-1-ium-2-ylsulfamoyl)phenyl]acetamide (CID 5225702) is 2-(2-tert-butylphenoxy)-N-[4-(pyridin-1-ium-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-tert-butylphenoxy)-N-[4-(pyridin-1-ium-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(2-tert-butylphenoxy)-N-[4-(pyridin-1-ium-2-ylsulfamoyl)phenyl]acetamide is CC(C)(C)c1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc[nH+]2)cc1.
What is the InChIKey of 2-(2-tert-butylphenoxy)-N-[4-(pyridin-1-ium-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is OTUMJFDBGYYBCE-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H25N3O4S/c1-23(2,3)19-8-4-5-9-20(19)30-16-22(27)25-17-11-13-18(14-12-17)31(28,29)26-21-10-6-7-15-24-21/h4-15H,16H2,1-3H3,(H,24,26)(H,25,27)/p+1.
What are the key properties of 2-(2-tert-butylphenoxy)-N-[4-(pyridin-1-ium-2-ylsulfamoyl)phenyl]acetamide?
2-(2-tert-butylphenoxy)-N-[4-(pyridin-1-ium-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 440.55 g/mol, XLogP of 3.62, 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-(pyridin-1-ium-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 5225702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).