2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(naphthalen-1-ylmethyl)acetamide

C23H26N2O4S — CID 133163719

IUPAC2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(naphthalen-1-ylmethyl)acetamide
SMILESCCC(C)NS(=O)(=O)c1ccc(OCC(=O)NCc2cccc3ccccc23)cc1
InChIInChI=1S/C23H26N2O4S/c1-3-17(2)25-30(27,28)21-13-11-20(12-14-21)29-16-23(26)24-15-19-9-6-8-18-7-4-5-10-22(18)19/h4-14,17,25H,3,15-16H2,1-2H3,(H,24,26)
InChIKeyCGEFTOSRXGZZQE-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.61
Rot. Bonds9

About 2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(naphthalen-1-ylmethyl)acetamide

2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(naphthalen-1-ylmethyl)acetamide (PubChem CID 133163719) has the molecular formula C23H26N2O4S and a molecular weight of 426.54 g/mol. Its IUPAC name is 2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(naphthalen-1-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(naphthalen-1-ylmethyl)acetamide
PubChem CID133163719
Molecular FormulaC23H26N2O4S
Molecular Weight426.54 g/mol
Exact Mass426.16
IUPAC Name2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(naphthalen-1-ylmethyl)acetamide
SMILESCCC(C)NS(=O)(=O)c1ccc(OCC(=O)NCc2cccc3ccccc23)cc1
InChIInChI=1S/C23H26N2O4S/c1-3-17(2)25-30(27,28)21-13-11-20(12-14-21)29-16-23(26)24-15-19-9-6-8-18-7-4-5-10-22(18)19/h4-14,17,25H,3,15-16H2,1-2H3,(H,24,26)
InChIKeyCGEFTOSRXGZZQE-UHFFFAOYSA-N
XLogP3.61
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide
CID 126203847
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2-phenylethyl)acetamide
CID 7320182
2-(4-methoxyphenoxy)-N-(naphthalen-1-ylmethyl)acetamide
CID 95945546
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetamide
CID 2207036
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-prop-2-enylacetamide
CID 126213719
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,6-dimethylphenyl)acetamide
CID 126205010
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate
CID 6957905
N-benzyl-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 1317169
N-[(4-methoxyphenyl)methyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 1304675
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 126201924
2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43873243
N-[(4-methylphenyl)methyl]-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 1319379

Frequently Asked Questions

What is the IUPAC name of 2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(naphthalen-1-ylmethyl)acetamide?
The IUPAC name of 2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(naphthalen-1-ylmethyl)acetamide (CID 133163719) is 2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(naphthalen-1-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(naphthalen-1-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(naphthalen-1-ylmethyl)acetamide is CCC(C)NS(=O)(=O)c1ccc(OCC(=O)NCc2cccc3ccccc23)cc1.
What is the InChIKey of 2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(naphthalen-1-ylmethyl)acetamide?
The InChIKey is CGEFTOSRXGZZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4S/c1-3-17(2)25-30(27,28)21-13-11-20(12-14-21)29-16-23(26)24-15-19-9-6-8-18-7-4-5-10-22(18)19/h4-14,17,25H,3,15-16H2,1-2H3,(H,24,26).
What are the key properties of 2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(naphthalen-1-ylmethyl)acetamide?
2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(naphthalen-1-ylmethyl)acetamide has a molecular weight of 426.54 g/mol, XLogP of 3.61, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(naphthalen-1-ylmethyl)acetamide is sourced from PubChem (CID 133163719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).