N-[2-(2-phenylethylsulfonylamino)ethyl]-N-prop-2-enylacetamide

C15H22N2O3S — CID 113052352

IUPACN-[2-(2-phenylethylsulfonylamino)ethyl]-N-prop-2-enylacetamide
SMILESC=CCN(CCNS(=O)(=O)CCc1ccccc1)C(C)=O
InChIInChI=1S/C15H22N2O3S/c1-3-11-17(14(2)18)12-10-16-21(19,20)13-9-15-7-5-4-6-8-15/h3-8,16H,1,9-13H2,2H3
InChIKeyMQCJVLKJQRHTJE-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.18
Rot. Bonds9

About N-[2-(2-phenylethylsulfonylamino)ethyl]-N-prop-2-enylacetamide

N-[2-(2-phenylethylsulfonylamino)ethyl]-N-prop-2-enylacetamide (PubChem CID 113052352) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[2-(2-phenylethylsulfonylamino)ethyl]-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-[2-(2-phenylethylsulfonylamino)ethyl]-N-prop-2-enylacetamide
PubChem CID113052352
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-[2-(2-phenylethylsulfonylamino)ethyl]-N-prop-2-enylacetamide
SMILESC=CCN(CCNS(=O)(=O)CCc1ccccc1)C(C)=O
InChIInChI=1S/C15H22N2O3S/c1-3-11-17(14(2)18)12-10-16-21(19,20)13-9-15-7-5-4-6-8-15/h3-8,16H,1,9-13H2,2H3
InChIKeyMQCJVLKJQRHTJE-UHFFFAOYSA-N
XLogP1.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-phenylethylsulfonylamino)ethyl]-N-propylacetamide
CID 113051944
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-(4-methoxyphenyl)-N-[2-(2-phenylethylsulfonylamino)ethyl]acetamide
CID 113060725
N-[2-(2-phenylethylsulfonylamino)ethyl]-N-(2-propan-2-ylphenyl)acetamide
CID 113058668
N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-N-prop-2-enylacetamide
CID 113052320
N-[3-(2-phenylethylsulfonylamino)propyl]acetamide
CID 110292134
N-[2-(dimethylsulfamoylamino)ethyl]-N-(3-phenylpropyl)acetamide
CID 113056474
N-(3-chloro-2-methylphenyl)-N-[2-(2-phenylethylsulfonylamino)ethyl]acetamide
CID 113059789
3-phenylpropyl 2-[acetyl(prop-2-enyl)amino]acetate
CID 84571932
N-[2-[(2-chlorophenyl)sulfonylamino]ethyl]-N-(2-phenylethyl)acetamide
CID 113055627

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenylethylsulfonylamino)ethyl]-N-prop-2-enylacetamide?
The IUPAC name of N-[2-(2-phenylethylsulfonylamino)ethyl]-N-prop-2-enylacetamide (CID 113052352) is N-[2-(2-phenylethylsulfonylamino)ethyl]-N-prop-2-enylacetamide.
What is the SMILES notation for N-[2-(2-phenylethylsulfonylamino)ethyl]-N-prop-2-enylacetamide?
The canonical SMILES for N-[2-(2-phenylethylsulfonylamino)ethyl]-N-prop-2-enylacetamide is C=CCN(CCNS(=O)(=O)CCc1ccccc1)C(C)=O.
What is the InChIKey of N-[2-(2-phenylethylsulfonylamino)ethyl]-N-prop-2-enylacetamide?
The InChIKey is MQCJVLKJQRHTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-3-11-17(14(2)18)12-10-16-21(19,20)13-9-15-7-5-4-6-8-15/h3-8,16H,1,9-13H2,2H3.
What are the key properties of N-[2-(2-phenylethylsulfonylamino)ethyl]-N-prop-2-enylacetamide?
N-[2-(2-phenylethylsulfonylamino)ethyl]-N-prop-2-enylacetamide has a molecular weight of 310.42 g/mol, XLogP of 1.18, 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-prop-2-enylacetamide is sourced from PubChem (CID 113052352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).