N-[3-(2-phenylethylsulfonylamino)propyl]acetamide

C13H20N2O3S — CID 110292134

IUPACN-[3-(2-phenylethylsulfonylamino)propyl]acetamide
SMILESCC(=O)NCCCNS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C13H20N2O3S/c1-12(16)14-9-5-10-15-19(17,18)11-8-13-6-3-2-4-7-13/h2-4,6-7,15H,5,8-11H2,1H3,(H,14,16)
InChIKeyIXDLTWAHBFDSLP-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.67
Rot. Bonds8

About N-[3-(2-phenylethylsulfonylamino)propyl]acetamide

N-[3-(2-phenylethylsulfonylamino)propyl]acetamide (PubChem CID 110292134) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[3-(2-phenylethylsulfonylamino)propyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-phenylethylsulfonylamino)propyl]acetamide
PubChem CID110292134
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-[3-(2-phenylethylsulfonylamino)propyl]acetamide
SMILESCC(=O)NCCCNS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C13H20N2O3S/c1-12(16)14-9-5-10-15-19(17,18)11-8-13-6-3-2-4-7-13/h2-4,6-7,15H,5,8-11H2,1H3,(H,14,16)
InChIKeyIXDLTWAHBFDSLP-UHFFFAOYSA-N
XLogP0.67
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-[2-(4-benzylphenyl)ethylsulfonylamino]heptanoic acid
CID 150577453
N-[2-(2-phenylethylsulfonylamino)ethyl]-N-propylacetamide
CID 113051944
N-(2,6-dimethylphenyl)-N-[2-(2-phenylethylsulfonylamino)ethyl]acetamide
CID 113058169
N-[2-(2-phenylethylsulfonylamino)ethyl]-N-prop-2-enylacetamide
CID 113052352
2-(butylsulfonylamino)-N-(3-phenylpropyl)acetamide
CID 112994808
(2S)-2-amino-N-[3-(ethylsulfonylamino)propyl]-3-phenylpropanamide;hydrochloride
CID 119311621
N-benzyl-N-[2-(3-phenylpropylsulfonylamino)ethyl]acetamide
CID 113054093
3-chloro-N-(3-phenylpropyl)propane-1-sulfonamide
CID 43654108
N-(2-hydroxypropyl)-2-phenylethanesulfonamide
CID 43502342
N-[2-(2-phenylethylsulfamoyl)ethyl]benzamide
CID 7423263
N-[6-(2-phenylethoxy)hexyl]acetamide
CID 67657412
N-[2-(3-methylphenyl)ethyl]-2-phenylethanesulfonamide
CID 110288627

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-phenylethylsulfonylamino)propyl]acetamide?
The IUPAC name of N-[3-(2-phenylethylsulfonylamino)propyl]acetamide (CID 110292134) is N-[3-(2-phenylethylsulfonylamino)propyl]acetamide.
What is the SMILES notation for N-[3-(2-phenylethylsulfonylamino)propyl]acetamide?
The canonical SMILES for N-[3-(2-phenylethylsulfonylamino)propyl]acetamide is CC(=O)NCCCNS(=O)(=O)CCc1ccccc1.
What is the InChIKey of N-[3-(2-phenylethylsulfonylamino)propyl]acetamide?
The InChIKey is IXDLTWAHBFDSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-12(16)14-9-5-10-15-19(17,18)11-8-13-6-3-2-4-7-13/h2-4,6-7,15H,5,8-11H2,1H3,(H,14,16).
What are the key properties of N-[3-(2-phenylethylsulfonylamino)propyl]acetamide?
N-[3-(2-phenylethylsulfonylamino)propyl]acetamide has a molecular weight of 284.38 g/mol, XLogP of 0.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-phenylethylsulfonylamino)propyl]acetamide is sourced from PubChem (CID 110292134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).