4-(dimethylsulfamoyl)-N-[(2R)-oxan-2-yl]oxybenzamide

C14H20N2O5S — CID 94824413

IUPAC4-(dimethylsulfamoyl)-N-[(2R)-oxan-2-yl]oxybenzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NO[C@@H]2CCCCO2)cc1
InChIInChI=1S/C14H20N2O5S/c1-16(2)22(18,19)12-8-6-11(7-9-12)14(17)15-21-13-5-3-4-10-20-13/h6-9,13H,3-5,10H2,1-2H3,(H,15,17)/t13-/m1/s1
InChIKeyRPWFHTMYBADFKF-CYBMUJFWSA-N
MW328.39 g/mol
LogP1.12
Rot. Bonds5

About 4-(dimethylsulfamoyl)-N-[(2R)-oxan-2-yl]oxybenzamide

4-(dimethylsulfamoyl)-N-[(2R)-oxan-2-yl]oxybenzamide (PubChem CID 94824413) has the molecular formula C14H20N2O5S and a molecular weight of 328.39 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[(2R)-oxan-2-yl]oxybenzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[(2R)-oxan-2-yl]oxybenzamide
PubChem CID94824413
Molecular FormulaC14H20N2O5S
Molecular Weight328.39 g/mol
Exact Mass328.11
IUPAC Name4-(dimethylsulfamoyl)-N-[(2R)-oxan-2-yl]oxybenzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NO[C@@H]2CCCCO2)cc1
InChIInChI=1S/C14H20N2O5S/c1-16(2)22(18,19)12-8-6-11(7-9-12)14(17)15-21-13-5-3-4-10-20-13/h6-9,13H,3-5,10H2,1-2H3,(H,15,17)/t13-/m1/s1
InChIKeyRPWFHTMYBADFKF-CYBMUJFWSA-N
XLogP1.12
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(dimethylsulfamoyl)-N-(oxan-2-yloxy)benzamide
CID 51103221
4-chloro-N-(oxan-2-yloxy)benzamide
CID 51103118
3-(dimethylamino)-N-(oxan-2-yloxy)benzamide
CID 60612522
ethyl (E)-3-[4-(oxan-2-yloxycarbamoyl)phenyl]prop-2-enoate
CID 142704315
[(2R)-oxolan-2-yl]methyl 4-(dimethylsulfamoyl)benzoate
CID 2375035
5-(oxan-2-yloxycarbamoyl)-1,3-dihydroisoindole-2-carboxylic acid
CID 123685392
3-benzamido-4-methyl-N-[(2S)-oxan-2-yl]oxybenzamide
CID 52829145
3,4,5-trimethoxy-N-(oxan-2-yloxy)benzamide
CID 51103131
4-bromo-3,5-dimethoxy-N-[(2R)-oxan-2-yl]oxybenzamide
CID 52829220
N-(2,3-dimethylcyclohexyl)-4-(dimethylsulfamoyl)benzamide
CID 17388431
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-(dimethylsulfamoyl)benzamide
CID 26797148
cyclododecyl 4-(dimethylsulfamoyl)benzoate
CID 5032612

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[(2R)-oxan-2-yl]oxybenzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[(2R)-oxan-2-yl]oxybenzamide (CID 94824413) is 4-(dimethylsulfamoyl)-N-[(2R)-oxan-2-yl]oxybenzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[(2R)-oxan-2-yl]oxybenzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[(2R)-oxan-2-yl]oxybenzamide is CN(C)S(=O)(=O)c1ccc(C(=O)NO[C@@H]2CCCCO2)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[(2R)-oxan-2-yl]oxybenzamide?
The InChIKey is RPWFHTMYBADFKF-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20N2O5S/c1-16(2)22(18,19)12-8-6-11(7-9-12)14(17)15-21-13-5-3-4-10-20-13/h6-9,13H,3-5,10H2,1-2H3,(H,15,17)/t13-/m1/s1.
What are the key properties of 4-(dimethylsulfamoyl)-N-[(2R)-oxan-2-yl]oxybenzamide?
4-(dimethylsulfamoyl)-N-[(2R)-oxan-2-yl]oxybenzamide has a molecular weight of 328.39 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[(2R)-oxan-2-yl]oxybenzamide is sourced from PubChem (CID 94824413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).