2-[4-(dimethylsulfamoyl)phenoxy]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

C15H22N2O5S — CID 27261642

IUPAC2-[4-(dimethylsulfamoyl)phenoxy]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1
InChIInChI=1S/C15H22N2O5S/c1-17(2)23(19,20)14-7-5-12(6-8-14)22-11-15(18)16-10-13-4-3-9-21-13/h5-8,13H,3-4,9-11H2,1-2H3,(H,16,18)/t13-/m1/s1
InChIKeyMMJJKPHIAGDSAR-CYBMUJFWSA-N
MW342.42 g/mol
LogP0.61
Rot. Bonds7

About 2-[4-(dimethylsulfamoyl)phenoxy]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

2-[4-(dimethylsulfamoyl)phenoxy]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (PubChem CID 27261642) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-[4-(dimethylsulfamoyl)phenoxy]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[4-(dimethylsulfamoyl)phenoxy]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
PubChem CID27261642
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name2-[4-(dimethylsulfamoyl)phenoxy]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1
InChIInChI=1S/C15H22N2O5S/c1-17(2)23(19,20)14-7-5-12(6-8-14)22-11-15(18)16-10-13-4-3-9-21-13/h5-8,13H,3-4,9-11H2,1-2H3,(H,16,18)/t13-/m1/s1
InChIKeyMMJJKPHIAGDSAR-CYBMUJFWSA-N
XLogP0.61
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(oxolan-2-ylmethyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide
CID 2955531
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1088506
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1088507
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 5-(dimethylsulfamoyl)-2-fluorobenzoate
CID 7976445
N-(oxolan-2-ylmethyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 18168439
2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 25418906
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(4-methoxyphenoxy)acetate
CID 8905770
2-(4-bromo-3-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 845232
4-N,4-N-dimethyl-1-N-(oxolan-2-ylmethyl)benzene-1,4-disulfonamide
CID 25040936
2-(3,4-dichlorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2419982
2-naphthalen-2-yloxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 874788
2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(oxolan-2-ylmethyl)acetamide
CID 43888517

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylsulfamoyl)phenoxy]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-[4-(dimethylsulfamoyl)phenoxy]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (CID 27261642) is 2-[4-(dimethylsulfamoyl)phenoxy]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[4-(dimethylsulfamoyl)phenoxy]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[4-(dimethylsulfamoyl)phenoxy]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is CN(C)S(=O)(=O)c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1.
What is the InChIKey of 2-[4-(dimethylsulfamoyl)phenoxy]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The InChIKey is MMJJKPHIAGDSAR-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-17(2)23(19,20)14-7-5-12(6-8-14)22-11-15(18)16-10-13-4-3-9-21-13/h5-8,13H,3-4,9-11H2,1-2H3,(H,16,18)/t13-/m1/s1.
What are the key properties of 2-[4-(dimethylsulfamoyl)phenoxy]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
2-[4-(dimethylsulfamoyl)phenoxy]-N-[[(2R)-oxolan-2-yl]methyl]acetamide has a molecular weight of 342.42 g/mol, XLogP of 0.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylsulfamoyl)phenoxy]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 27261642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).