2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-prop-2-enylacetamide

C15H22N2O4S — CID 126213719

IUPAC2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1ccc(S(=O)(=O)N[C@H](C)CC)cc1
InChIInChI=1S/C15H22N2O4S/c1-4-10-16-15(18)11-21-13-6-8-14(9-7-13)22(19,20)17-12(3)5-2/h4,6-9,12,17H,1,5,10-11H2,2-3H3,(H,16,18)/t12-/m1/s1
InChIKeyVOXUJPIFXPYHIY-GFCCVEGCSA-N
MW326.42 g/mol
LogP1.44
Rot. Bonds9

About 2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-prop-2-enylacetamide

2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-prop-2-enylacetamide (PubChem CID 126213719) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-prop-2-enylacetamide
PubChem CID126213719
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1ccc(S(=O)(=O)N[C@H](C)CC)cc1
InChIInChI=1S/C15H22N2O4S/c1-4-10-16-15(18)11-21-13-6-8-14(9-7-13)22(19,20)17-12(3)5-2/h4,6-9,12,17H,1,5,10-11H2,2-3H3,(H,16,18)/t12-/m1/s1
InChIKeyVOXUJPIFXPYHIY-GFCCVEGCSA-N
XLogP1.44
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate
CID 6957905
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2-phenylethyl)acetamide
CID 7320182
4-[2-oxo-2-(prop-2-enylamino)ethoxy]benzenesulfonyl chloride
CID 82915892
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 126212081
N-(4-bromophenyl)-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide
CID 1287541
2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(naphthalen-1-ylmethyl)acetamide
CID 133163719
ethyl 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate
CID 893339
2-[4-(1-hydroxypropyl)phenoxy]-N-prop-2-enylacetamide
CID 43504554
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-cycloheptylacetamide
CID 1307702
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,6-dimethylphenyl)acetamide
CID 126205010
2-[4-(butan-2-ylsulfamoyl)phenoxy]-N,N-diethylacetamide
CID 171317631
2-[4-[(1S)-1-aminoethyl]phenoxy]-N-prop-2-enylacetamide
CID 78932793

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-prop-2-enylacetamide?
The IUPAC name of 2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-prop-2-enylacetamide (CID 126213719) is 2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-prop-2-enylacetamide is C=CCNC(=O)COc1ccc(S(=O)(=O)N[C@H](C)CC)cc1.
What is the InChIKey of 2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-prop-2-enylacetamide?
The InChIKey is VOXUJPIFXPYHIY-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-4-10-16-15(18)11-21-13-6-8-14(9-7-13)22(19,20)17-12(3)5-2/h4,6-9,12,17H,1,5,10-11H2,2-3H3,(H,16,18)/t12-/m1/s1.
What are the key properties of 2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-prop-2-enylacetamide?
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-prop-2-enylacetamide has a molecular weight of 326.42 g/mol, XLogP of 1.44, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-prop-2-enylacetamide is sourced from PubChem (CID 126213719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).