2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,6-dimethylphenyl)acetamide

C20H26N2O4S — CID 126205010

IUPAC2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,6-dimethylphenyl)acetamide
SMILESCC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C20H26N2O4S/c1-5-16(4)22-27(24,25)18-11-9-17(10-12-18)26-13-19(23)21-20-14(2)7-6-8-15(20)3/h6-12,16,22H,5,13H2,1-4H3,(H,21,23)/t16-/m0/s1
InChIKeyFIHIJMMUSJGJIO-INIZCTEOSA-N
MW390.51 g/mol
LogP3.40
Rot. Bonds8

About 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,6-dimethylphenyl)acetamide

2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 126205010) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,6-dimethylphenyl)acetamide
PubChem CID126205010
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,6-dimethylphenyl)acetamide
SMILESCC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C20H26N2O4S/c1-5-16(4)22-27(24,25)18-11-9-17(10-12-18)26-13-19(23)21-20-14(2)7-6-8-15(20)3/h6-12,16,22H,5,13H2,1-4H3,(H,21,23)/t16-/m0/s1
InChIKeyFIHIJMMUSJGJIO-INIZCTEOSA-N
XLogP3.40
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126133986
N-(2,6-dimethylphenyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide
CID 45375299
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide
CID 126203847
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 126201924
N-(2,6-dimethylphenyl)-2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 3571007
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(5-chloro-2-methylphenyl)acetamide
CID 126203239
N-(4-bromophenyl)-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide
CID 1287541
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 126212081
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate
CID 6957905
2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(3-cyanophenyl)acetamide
CID 133163726
ethyl 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate
CID 893339
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,4,5-trichlorophenyl)acetamide
CID 126205366

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,6-dimethylphenyl)acetamide (CID 126205010) is 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,6-dimethylphenyl)acetamide is CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2c(C)cccc2C)cc1.
What is the InChIKey of 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is FIHIJMMUSJGJIO-INIZCTEOSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-5-16(4)22-27(24,25)18-11-9-17(10-12-18)26-13-19(23)21-20-14(2)7-6-8-15(20)3/h6-12,16,22H,5,13H2,1-4H3,(H,21,23)/t16-/m0/s1.
What are the key properties of 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,6-dimethylphenyl)acetamide?
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 390.51 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 126205010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).