N-ethyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide

C13H20N2O3S — CID 2219097

IUPACN-ethyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
SMILESCCNC(=O)CN(CCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C13H20N2O3S/c1-3-14-13(16)11-15(19(2,17)18)10-9-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,14,16)
InChIKeyUSLSJLHOZZMMOD-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.63
Rot. Bonds7

About N-ethyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide

N-ethyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide (PubChem CID 2219097) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-ethyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
PubChem CID2219097
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-ethyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
SMILESCCNC(=O)CN(CCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C13H20N2O3S/c1-3-14-13(16)11-15(19(2,17)18)10-9-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,14,16)
InChIKeyUSLSJLHOZZMMOD-UHFFFAOYSA-N
XLogP0.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide?
The IUPAC name of N-ethyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide (CID 2219097) is N-ethyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide.
What is the SMILES notation for N-ethyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide?
The canonical SMILES for N-ethyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide is CCNC(=O)CN(CCc1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-ethyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide?
The InChIKey is USLSJLHOZZMMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-3-14-13(16)11-15(19(2,17)18)10-9-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,14,16).
What are the key properties of N-ethyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide?
N-ethyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide has a molecular weight of 284.38 g/mol, XLogP of 0.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide is sourced from PubChem (CID 2219097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).