3-[4-(methylsulfamoyl)phenyl]-N-(oxolan-3-ylmethyl)propanamide

C15H22N2O4S — CID 51079061

IUPAC3-[4-(methylsulfamoyl)phenyl]-N-(oxolan-3-ylmethyl)propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)NCC2CCOC2)cc1
InChIInChI=1S/C15H22N2O4S/c1-16-22(19,20)14-5-2-12(3-6-14)4-7-15(18)17-10-13-8-9-21-11-13/h2-3,5-6,13,16H,4,7-11H2,1H3,(H,17,18)
InChIKeyNZUOVMWSCIZAQB-UHFFFAOYSA-N
MW326.42 g/mol
LogP0.68
Rot. Bonds7

About 3-[4-(methylsulfamoyl)phenyl]-N-(oxolan-3-ylmethyl)propanamide

3-[4-(methylsulfamoyl)phenyl]-N-(oxolan-3-ylmethyl)propanamide (PubChem CID 51079061) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 3-[4-(methylsulfamoyl)phenyl]-N-(oxolan-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[4-(methylsulfamoyl)phenyl]-N-(oxolan-3-ylmethyl)propanamide
PubChem CID51079061
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name3-[4-(methylsulfamoyl)phenyl]-N-(oxolan-3-ylmethyl)propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)NCC2CCOC2)cc1
InChIInChI=1S/C15H22N2O4S/c1-16-22(19,20)14-5-2-12(3-6-14)4-7-15(18)17-10-13-8-9-21-11-13/h2-3,5-6,13,16H,4,7-11H2,1H3,(H,17,18)
InChIKeyNZUOVMWSCIZAQB-UHFFFAOYSA-N
XLogP0.68
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(methylsulfamoyl)phenyl]-N-(oxan-4-ylmethyl)propanamide
CID 91768015
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 33250548
N-cyclooctyl-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51180741
2-[4-(oxolan-3-ylmethylsulfamoyl)phenyl]acetic acid
CID 60920003
N-(cyclohexylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 24678012
N-(2-amino-2-methylpropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 119629648
N-[2-(aminomethyl)cyclopentyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 119604290
N-cyclohexyl-N-methyl-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51191477
3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(oxolan-3-ylmethyl)propanamide
CID 55659140
N-(3-methoxypropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51180667
N-(2,2-diphenylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 27770572
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 33426038

Frequently Asked Questions

What is the IUPAC name of 3-[4-(methylsulfamoyl)phenyl]-N-(oxolan-3-ylmethyl)propanamide?
The IUPAC name of 3-[4-(methylsulfamoyl)phenyl]-N-(oxolan-3-ylmethyl)propanamide (CID 51079061) is 3-[4-(methylsulfamoyl)phenyl]-N-(oxolan-3-ylmethyl)propanamide.
What is the SMILES notation for 3-[4-(methylsulfamoyl)phenyl]-N-(oxolan-3-ylmethyl)propanamide?
The canonical SMILES for 3-[4-(methylsulfamoyl)phenyl]-N-(oxolan-3-ylmethyl)propanamide is CNS(=O)(=O)c1ccc(CCC(=O)NCC2CCOC2)cc1.
What is the InChIKey of 3-[4-(methylsulfamoyl)phenyl]-N-(oxolan-3-ylmethyl)propanamide?
The InChIKey is NZUOVMWSCIZAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-16-22(19,20)14-5-2-12(3-6-14)4-7-15(18)17-10-13-8-9-21-11-13/h2-3,5-6,13,16H,4,7-11H2,1H3,(H,17,18).
What are the key properties of 3-[4-(methylsulfamoyl)phenyl]-N-(oxolan-3-ylmethyl)propanamide?
3-[4-(methylsulfamoyl)phenyl]-N-(oxolan-3-ylmethyl)propanamide has a molecular weight of 326.42 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methylsulfamoyl)phenyl]-N-(oxolan-3-ylmethyl)propanamide is sourced from PubChem (CID 51079061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).