N-[4-(methylsulfamoyl)phenyl]-2-(2-propan-2-ylphenoxy)acetamide

C18H22N2O4S — CID 9219528

IUPACN-[4-(methylsulfamoyl)phenyl]-2-(2-propan-2-ylphenoxy)acetamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)COc2ccccc2C(C)C)cc1
InChIInChI=1S/C18H22N2O4S/c1-13(2)16-6-4-5-7-17(16)24-12-18(21)20-14-8-10-15(11-9-14)25(22,23)19-3/h4-11,13,19H,12H2,1-3H3,(H,20,21)
InChIKeyPKSYWVJPSWOCIY-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.74
Rot. Bonds7

About N-[4-(methylsulfamoyl)phenyl]-2-(2-propan-2-ylphenoxy)acetamide

N-[4-(methylsulfamoyl)phenyl]-2-(2-propan-2-ylphenoxy)acetamide (PubChem CID 9219528) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[4-(methylsulfamoyl)phenyl]-2-(2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(methylsulfamoyl)phenyl]-2-(2-propan-2-ylphenoxy)acetamide
PubChem CID9219528
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-[4-(methylsulfamoyl)phenyl]-2-(2-propan-2-ylphenoxy)acetamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)COc2ccccc2C(C)C)cc1
InChIInChI=1S/C18H22N2O4S/c1-13(2)16-6-4-5-7-17(16)24-12-18(21)20-14-8-10-15(11-9-14)25(22,23)19-3/h4-11,13,19H,12H2,1-3H3,(H,20,21)
InChIKeyPKSYWVJPSWOCIY-UHFFFAOYSA-N
XLogP2.74
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenoxy)-N-[4-(methylsulfamoyl)phenyl]acetamide
CID 9219508
4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzoic acid
CID 19165036
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 4924131
N-(3-methylsulfonylphenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 9071755
N-methyl-3-[4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]phenyl]propanamide
CID 54780767
2-(2-butan-2-ylphenoxy)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 2953225
N-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 4946287
2-(2-tert-butylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 17050661
2-(2-butan-2-ylphenoxy)-N-(4-fluorophenyl)acetamide
CID 2950014
2-[2-[(2S)-butan-2-yl]phenoxy]-N-(4-methylphenyl)acetamide
CID 833563
2-[2-[(2R)-butan-2-yl]phenoxy]-N-(4-methylphenyl)acetamide
CID 833562
2-[2-[(2R)-butan-2-yl]phenoxy]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 1015338

Frequently Asked Questions

What is the IUPAC name of N-[4-(methylsulfamoyl)phenyl]-2-(2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[4-(methylsulfamoyl)phenyl]-2-(2-propan-2-ylphenoxy)acetamide (CID 9219528) is N-[4-(methylsulfamoyl)phenyl]-2-(2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[4-(methylsulfamoyl)phenyl]-2-(2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[4-(methylsulfamoyl)phenyl]-2-(2-propan-2-ylphenoxy)acetamide is CNS(=O)(=O)c1ccc(NC(=O)COc2ccccc2C(C)C)cc1.
What is the InChIKey of N-[4-(methylsulfamoyl)phenyl]-2-(2-propan-2-ylphenoxy)acetamide?
The InChIKey is PKSYWVJPSWOCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-13(2)16-6-4-5-7-17(16)24-12-18(21)20-14-8-10-15(11-9-14)25(22,23)19-3/h4-11,13,19H,12H2,1-3H3,(H,20,21).
What are the key properties of N-[4-(methylsulfamoyl)phenyl]-2-(2-propan-2-ylphenoxy)acetamide?
N-[4-(methylsulfamoyl)phenyl]-2-(2-propan-2-ylphenoxy)acetamide has a molecular weight of 362.45 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylsulfamoyl)phenyl]-2-(2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 9219528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).