2-acetamido-N-benzyl-2-ethylsulfinylacetamide

C13H18N2O3S — CID 14860719

IUPAC2-acetamido-N-benzyl-2-ethylsulfinylacetamide
SMILESCCS(=O)C(NC(C)=O)C(=O)NCc1ccccc1
InChIInChI=1S/C13H18N2O3S/c1-3-19(18)13(15-10(2)16)12(17)14-9-11-7-5-4-6-8-11/h4-8,13H,3,9H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyQHGPMDCMFGHFDC-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.53
Rot. Bonds6

About 2-acetamido-N-benzyl-2-ethylsulfinylacetamide

2-acetamido-N-benzyl-2-ethylsulfinylacetamide (PubChem CID 14860719) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-acetamido-N-benzyl-2-ethylsulfinylacetamide.

Molecular Properties

Compound Name2-acetamido-N-benzyl-2-ethylsulfinylacetamide
PubChem CID14860719
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Name2-acetamido-N-benzyl-2-ethylsulfinylacetamide
SMILESCCS(=O)C(NC(C)=O)C(=O)NCc1ccccc1
InChIInChI=1S/C13H18N2O3S/c1-3-19(18)13(15-10(2)16)12(17)14-9-11-7-5-4-6-8-11/h4-8,13H,3,9H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyQHGPMDCMFGHFDC-UHFFFAOYSA-N
XLogP0.53
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-benzyl-2-ethylsulfinylacetamide?
The IUPAC name of 2-acetamido-N-benzyl-2-ethylsulfinylacetamide (CID 14860719) is 2-acetamido-N-benzyl-2-ethylsulfinylacetamide.
What is the SMILES notation for 2-acetamido-N-benzyl-2-ethylsulfinylacetamide?
The canonical SMILES for 2-acetamido-N-benzyl-2-ethylsulfinylacetamide is CCS(=O)C(NC(C)=O)C(=O)NCc1ccccc1.
What is the InChIKey of 2-acetamido-N-benzyl-2-ethylsulfinylacetamide?
The InChIKey is QHGPMDCMFGHFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-3-19(18)13(15-10(2)16)12(17)14-9-11-7-5-4-6-8-11/h4-8,13H,3,9H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 2-acetamido-N-benzyl-2-ethylsulfinylacetamide?
2-acetamido-N-benzyl-2-ethylsulfinylacetamide has a molecular weight of 282.37 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-benzyl-2-ethylsulfinylacetamide is sourced from PubChem (CID 14860719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).