2-[4-(butan-2-ylsulfamoyl)phenoxy]-N,N-diethylacetamide

C16H26N2O4S — CID 171317631

IUPAC2-[4-(butan-2-ylsulfamoyl)phenoxy]-N,N-diethylacetamide
SMILESCCC(C)NS(=O)(=O)c1ccc(OCC(=O)N(CC)CC)cc1
InChIInChI=1S/C16H26N2O4S/c1-5-13(4)17-23(20,21)15-10-8-14(9-11-15)22-12-16(19)18(6-2)7-3/h8-11,13,17H,5-7,12H2,1-4H3
InChIKeyQVLBVAAEIODKFE-UHFFFAOYSA-N
MW342.46 g/mol
LogP2.01
Rot. Bonds9

About 2-[4-(butan-2-ylsulfamoyl)phenoxy]-N,N-diethylacetamide

2-[4-(butan-2-ylsulfamoyl)phenoxy]-N,N-diethylacetamide (PubChem CID 171317631) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is 2-[4-(butan-2-ylsulfamoyl)phenoxy]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[4-(butan-2-ylsulfamoyl)phenoxy]-N,N-diethylacetamide
PubChem CID171317631
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC Name2-[4-(butan-2-ylsulfamoyl)phenoxy]-N,N-diethylacetamide
SMILESCCC(C)NS(=O)(=O)c1ccc(OCC(=O)N(CC)CC)cc1
InChIInChI=1S/C16H26N2O4S/c1-5-13(4)17-23(20,21)15-10-8-14(9-11-15)22-12-16(19)18(6-2)7-3/h8-11,13,17H,5-7,12H2,1-4H3
InChIKeyQVLBVAAEIODKFE-UHFFFAOYSA-N
XLogP2.01
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate
CID 6957905
ethyl 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate
CID 893339
N,N-diethyl-2-[4-(propylsulfamoyl)phenoxy]acetamide
CID 45375378
2-[4-(cyclopentylsulfamoyl)phenoxy]-N,N-diethylacetamide
CID 45374145
N-[(2R)-butan-2-yl]-4-[[(4-ethoxybenzoyl)amino]carbamoyl]benzenesulfonamide
CID 9492699
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-prop-2-enylacetamide
CID 126213719
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]-N-(2,6-dimethylphenyl)acetamide
CID 126205010
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-cycloheptylacetamide
CID 1307702
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2-phenylethyl)acetamide
CID 7320182
[2-(diethylamino)-2-oxoethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 16565546

Frequently Asked Questions

What is the IUPAC name of 2-[4-(butan-2-ylsulfamoyl)phenoxy]-N,N-diethylacetamide?
The IUPAC name of 2-[4-(butan-2-ylsulfamoyl)phenoxy]-N,N-diethylacetamide (CID 171317631) is 2-[4-(butan-2-ylsulfamoyl)phenoxy]-N,N-diethylacetamide.
What is the SMILES notation for 2-[4-(butan-2-ylsulfamoyl)phenoxy]-N,N-diethylacetamide?
The canonical SMILES for 2-[4-(butan-2-ylsulfamoyl)phenoxy]-N,N-diethylacetamide is CCC(C)NS(=O)(=O)c1ccc(OCC(=O)N(CC)CC)cc1.
What is the InChIKey of 2-[4-(butan-2-ylsulfamoyl)phenoxy]-N,N-diethylacetamide?
The InChIKey is QVLBVAAEIODKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-5-13(4)17-23(20,21)15-10-8-14(9-11-15)22-12-16(19)18(6-2)7-3/h8-11,13,17H,5-7,12H2,1-4H3.
What are the key properties of 2-[4-(butan-2-ylsulfamoyl)phenoxy]-N,N-diethylacetamide?
2-[4-(butan-2-ylsulfamoyl)phenoxy]-N,N-diethylacetamide has a molecular weight of 342.46 g/mol, XLogP of 2.01, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(butan-2-ylsulfamoyl)phenoxy]-N,N-diethylacetamide is sourced from PubChem (CID 171317631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).