2-[4-(propan-2-ylsulfamoyl)phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C21H26N2O4S — CID 43873176

IUPAC2-[4-(propan-2-ylsulfamoyl)phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCC(C)NS(=O)(=O)c1ccc(OCC(=O)NC2CCCc3ccccc32)cc1
InChIInChI=1S/C21H26N2O4S/c1-15(2)23-28(25,26)18-12-10-17(11-13-18)27-14-21(24)22-20-9-5-7-16-6-3-4-8-19(16)20/h3-4,6,8,10-13,15,20,23H,5,7,9,14H2,1-2H3,(H,22,24)
InChIKeyBMLIEDFKPGDRSU-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.95
Rot. Bonds7

About 2-[4-(propan-2-ylsulfamoyl)phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-[4-(propan-2-ylsulfamoyl)phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 43873176) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is 2-[4-(propan-2-ylsulfamoyl)phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-[4-(propan-2-ylsulfamoyl)phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID43873176
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name2-[4-(propan-2-ylsulfamoyl)phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCC(C)NS(=O)(=O)c1ccc(OCC(=O)NC2CCCc3ccccc32)cc1
InChIInChI=1S/C21H26N2O4S/c1-15(2)23-28(25,26)18-12-10-17(11-13-18)27-14-21(24)22-20-9-5-7-16-6-3-4-8-19(16)20/h3-4,6,8,10-13,15,20,23H,5,7,9,14H2,1-2H3,(H,22,24)
InChIKeyBMLIEDFKPGDRSU-UHFFFAOYSA-N
XLogP2.95
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1-phenylethylsulfamoyl)phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43873202
2-[4-(phenylsulfamoyl)phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28553121
2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43873545
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28553683
2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28553266
2-(4-pyrrolidin-1-ylsulfonylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28552190
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide
CID 43873433
2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4092541
2-(4-propanoylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2542209
2-(4-phenylmethoxyphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7919823
4-[[(2R)-butan-2-yl]sulfamoyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 9216707
2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 92649315

Frequently Asked Questions

What is the IUPAC name of 2-[4-(propan-2-ylsulfamoyl)phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-[4-(propan-2-ylsulfamoyl)phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 43873176) is 2-[4-(propan-2-ylsulfamoyl)phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-[4-(propan-2-ylsulfamoyl)phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-[4-(propan-2-ylsulfamoyl)phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is CC(C)NS(=O)(=O)c1ccc(OCC(=O)NC2CCCc3ccccc32)cc1.
What is the InChIKey of 2-[4-(propan-2-ylsulfamoyl)phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is BMLIEDFKPGDRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-15(2)23-28(25,26)18-12-10-17(11-13-18)27-14-21(24)22-20-9-5-7-16-6-3-4-8-19(16)20/h3-4,6,8,10-13,15,20,23H,5,7,9,14H2,1-2H3,(H,22,24).
What are the key properties of 2-[4-(propan-2-ylsulfamoyl)phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-[4-(propan-2-ylsulfamoyl)phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 402.52 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(propan-2-ylsulfamoyl)phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 43873176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).