N-[2-(2-phenylethylsulfonylamino)ethyl]-N-propylacetamide

C15H24N2O3S — CID 113051944

IUPACN-[2-(2-phenylethylsulfonylamino)ethyl]-N-propylacetamide
SMILESCCCN(CCNS(=O)(=O)CCc1ccccc1)C(C)=O
InChIInChI=1S/C15H24N2O3S/c1-3-11-17(14(2)18)12-10-16-21(19,20)13-9-15-7-5-4-6-8-15/h4-8,16H,3,9-13H2,1-2H3
InChIKeyFKEASNCTSRLZHH-UHFFFAOYSA-N
MW312.43 g/mol
LogP1.41
Rot. Bonds9

About N-[2-(2-phenylethylsulfonylamino)ethyl]-N-propylacetamide

N-[2-(2-phenylethylsulfonylamino)ethyl]-N-propylacetamide (PubChem CID 113051944) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is N-[2-(2-phenylethylsulfonylamino)ethyl]-N-propylacetamide.

Molecular Properties

Compound NameN-[2-(2-phenylethylsulfonylamino)ethyl]-N-propylacetamide
PubChem CID113051944
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC NameN-[2-(2-phenylethylsulfonylamino)ethyl]-N-propylacetamide
SMILESCCCN(CCNS(=O)(=O)CCc1ccccc1)C(C)=O
InChIInChI=1S/C15H24N2O3S/c1-3-11-17(14(2)18)12-10-16-21(19,20)13-9-15-7-5-4-6-8-15/h4-8,16H,3,9-13H2,1-2H3
InChIKeyFKEASNCTSRLZHH-UHFFFAOYSA-N
XLogP1.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-phenylethylsulfonylamino)ethyl]-N-prop-2-enylacetamide
CID 113052352
N-benzyl-N-[2-(3-phenylpropylsulfonylamino)ethyl]acetamide
CID 113054093
N-[(2-fluorophenyl)methyl]-N-[2-(2-phenylethylsulfonylamino)ethyl]acetamide
CID 113054620
N-(2,6-dimethylphenyl)-N-[2-(2-phenylethylsulfonylamino)ethyl]acetamide
CID 113058169
N-[2-[acetyl(propyl)amino]ethyl]-3-phenylpropanamide
CID 113051865
N-[2-(butylsulfonylamino)ethyl]-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 113056291
N-[2-(dimethylsulfamoylamino)ethyl]-N-(3-phenylpropyl)acetamide
CID 113056474
N-(4-methoxyphenyl)-N-[2-(2-phenylethylsulfonylamino)ethyl]acetamide
CID 113060725
N-[2-(2-phenylethylsulfonylamino)ethyl]-N-(2-propan-2-ylphenyl)acetamide
CID 113058668
N-[3-(2-phenylethylsulfonylamino)propyl]acetamide
CID 110292134
N-(3-chloro-2-methylphenyl)-N-[2-(2-phenylethylsulfonylamino)ethyl]acetamide
CID 113059789
N-[2-(dimethylamino)ethyl]-N-[2-(propylsulfonylamino)ethyl]acetamide
CID 113053585

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenylethylsulfonylamino)ethyl]-N-propylacetamide?
The IUPAC name of N-[2-(2-phenylethylsulfonylamino)ethyl]-N-propylacetamide (CID 113051944) is N-[2-(2-phenylethylsulfonylamino)ethyl]-N-propylacetamide.
What is the SMILES notation for N-[2-(2-phenylethylsulfonylamino)ethyl]-N-propylacetamide?
The canonical SMILES for N-[2-(2-phenylethylsulfonylamino)ethyl]-N-propylacetamide is CCCN(CCNS(=O)(=O)CCc1ccccc1)C(C)=O.
What is the InChIKey of N-[2-(2-phenylethylsulfonylamino)ethyl]-N-propylacetamide?
The InChIKey is FKEASNCTSRLZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-3-11-17(14(2)18)12-10-16-21(19,20)13-9-15-7-5-4-6-8-15/h4-8,16H,3,9-13H2,1-2H3.
What are the key properties of N-[2-(2-phenylethylsulfonylamino)ethyl]-N-propylacetamide?
N-[2-(2-phenylethylsulfonylamino)ethyl]-N-propylacetamide has a molecular weight of 312.43 g/mol, XLogP of 1.41, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenylethylsulfonylamino)ethyl]-N-propylacetamide is sourced from PubChem (CID 113051944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).