N-(dimethylsulfamoyl)-3-phenylpropanamide

C11H16N2O3S — CID 47363067

IUPACN-(dimethylsulfamoyl)-3-phenylpropanamide
SMILESCN(C)S(=O)(=O)NC(=O)CCc1ccccc1
InChIInChI=1S/C11H16N2O3S/c1-13(2)17(15,16)12-11(14)9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,12,14)
InChIKeyQWLVVPUNSFDHSD-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.54
Rot. Bonds5

About N-(dimethylsulfamoyl)-3-phenylpropanamide

N-(dimethylsulfamoyl)-3-phenylpropanamide (PubChem CID 47363067) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-(dimethylsulfamoyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(dimethylsulfamoyl)-3-phenylpropanamide
PubChem CID47363067
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC NameN-(dimethylsulfamoyl)-3-phenylpropanamide
SMILESCN(C)S(=O)(=O)NC(=O)CCc1ccccc1
InChIInChI=1S/C11H16N2O3S/c1-13(2)17(15,16)12-11(14)9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,12,14)
InChIKeyQWLVVPUNSFDHSD-UHFFFAOYSA-N
XLogP0.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(dimethylsulfamoyl)-3-phenylpropanamide?
The IUPAC name of N-(dimethylsulfamoyl)-3-phenylpropanamide (CID 47363067) is N-(dimethylsulfamoyl)-3-phenylpropanamide.
What is the SMILES notation for N-(dimethylsulfamoyl)-3-phenylpropanamide?
The canonical SMILES for N-(dimethylsulfamoyl)-3-phenylpropanamide is CN(C)S(=O)(=O)NC(=O)CCc1ccccc1.
What is the InChIKey of N-(dimethylsulfamoyl)-3-phenylpropanamide?
The InChIKey is QWLVVPUNSFDHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-13(2)17(15,16)12-11(14)9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,12,14).
What are the key properties of N-(dimethylsulfamoyl)-3-phenylpropanamide?
N-(dimethylsulfamoyl)-3-phenylpropanamide has a molecular weight of 256.33 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylsulfamoyl)-3-phenylpropanamide is sourced from PubChem (CID 47363067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).