N-(1-phenylethyl)-N-[2-(propylsulfonylamino)ethyl]acetamide

C15H24N2O3S — CID 113054490

IUPACN-(1-phenylethyl)-N-[2-(propylsulfonylamino)ethyl]acetamide
SMILESCCCS(=O)(=O)NCCN(C(C)=O)C(C)c1ccccc1
InChIInChI=1S/C15H24N2O3S/c1-4-12-21(19,20)16-10-11-17(14(3)18)13(2)15-8-6-5-7-9-15/h5-9,13,16H,4,10-12H2,1-3H3
InChIKeyLJMPNFFEQVZSPX-UHFFFAOYSA-N
MW312.43 g/mol
LogP1.93
Rot. Bonds8

About N-(1-phenylethyl)-N-[2-(propylsulfonylamino)ethyl]acetamide

N-(1-phenylethyl)-N-[2-(propylsulfonylamino)ethyl]acetamide (PubChem CID 113054490) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is N-(1-phenylethyl)-N-[2-(propylsulfonylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-N-[2-(propylsulfonylamino)ethyl]acetamide
PubChem CID113054490
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC NameN-(1-phenylethyl)-N-[2-(propylsulfonylamino)ethyl]acetamide
SMILESCCCS(=O)(=O)NCCN(C(C)=O)C(C)c1ccccc1
InChIInChI=1S/C15H24N2O3S/c1-4-12-21(19,20)16-10-11-17(14(3)18)13(2)15-8-6-5-7-9-15/h5-9,13,16H,4,10-12H2,1-3H3
InChIKeyLJMPNFFEQVZSPX-UHFFFAOYSA-N
XLogP1.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[acetyl(1-phenylethyl)amino]ethyl]propanamide
CID 113054420
2-[acetyl(1-phenylethyl)amino]-N-propylacetamide
CID 113161938
1-phenylethyl(propyl)carbamic acid
CID 57360234
N-[2-(2-phenylethylsulfonylamino)ethyl]-N-propylacetamide
CID 113051944
N-[2-(dimethylamino)-2-phenylethyl]propane-1-sulfonamide
CID 60648817
N-(2-methylpropyl)-N-[2-(propylsulfonylamino)ethyl]acetamide
CID 113052581
N-(3-hydroxy-3-phenylpropyl)butane-1-sulfonamide
CID 111466269
N-[2-[acetyl(1-phenylethyl)amino]ethyl]-3,4-difluorobenzamide
CID 113054471
N-[(2S)-2-hydroxy-2-phenylethyl]propane-1-sulfonamide
CID 93084157
2-[acetyl(1-phenylethyl)amino]-N-benzyl-N-propan-2-ylacetamide
CID 113162014
2-[acetyl(1-phenylethyl)amino]-N-cyclopropylacetamide
CID 113161940
N-[[fluoro(dimethyl)silyl]methyl]-N-[(1S)-1-phenylethyl]acetamide
CID 101234105

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-N-[2-(propylsulfonylamino)ethyl]acetamide?
The IUPAC name of N-(1-phenylethyl)-N-[2-(propylsulfonylamino)ethyl]acetamide (CID 113054490) is N-(1-phenylethyl)-N-[2-(propylsulfonylamino)ethyl]acetamide.
What is the SMILES notation for N-(1-phenylethyl)-N-[2-(propylsulfonylamino)ethyl]acetamide?
The canonical SMILES for N-(1-phenylethyl)-N-[2-(propylsulfonylamino)ethyl]acetamide is CCCS(=O)(=O)NCCN(C(C)=O)C(C)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-N-[2-(propylsulfonylamino)ethyl]acetamide?
The InChIKey is LJMPNFFEQVZSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-4-12-21(19,20)16-10-11-17(14(3)18)13(2)15-8-6-5-7-9-15/h5-9,13,16H,4,10-12H2,1-3H3.
What are the key properties of N-(1-phenylethyl)-N-[2-(propylsulfonylamino)ethyl]acetamide?
N-(1-phenylethyl)-N-[2-(propylsulfonylamino)ethyl]acetamide has a molecular weight of 312.43 g/mol, XLogP of 1.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-N-[2-(propylsulfonylamino)ethyl]acetamide is sourced from PubChem (CID 113054490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).