N-benzyl-2-(benzylsulfonylamino)acetamide

C16H18N2O3S — CID 9104171

IUPACN-benzyl-2-(benzylsulfonylamino)acetamide
SMILESO=C(CNS(=O)(=O)Cc1ccccc1)NCc1ccccc1
InChIInChI=1S/C16H18N2O3S/c19-16(17-11-14-7-3-1-4-8-14)12-18-22(20,21)13-15-9-5-2-6-10-15/h1-10,18H,11-13H2,(H,17,19)
InChIKeyJKRKUEJIPSVOIE-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.42
Rot. Bonds7

About N-benzyl-2-(benzylsulfonylamino)acetamide

N-benzyl-2-(benzylsulfonylamino)acetamide (PubChem CID 9104171) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-benzyl-2-(benzylsulfonylamino)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(benzylsulfonylamino)acetamide
PubChem CID9104171
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN-benzyl-2-(benzylsulfonylamino)acetamide
SMILESO=C(CNS(=O)(=O)Cc1ccccc1)NCc1ccccc1
InChIInChI=1S/C16H18N2O3S/c19-16(17-11-14-7-3-1-4-8-14)12-18-22(20,21)13-15-9-5-2-6-10-15/h1-10,18H,11-13H2,(H,17,19)
InChIKeyJKRKUEJIPSVOIE-UHFFFAOYSA-N
XLogP1.42
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(benzylsulfonylamino)acetamide?
The IUPAC name of N-benzyl-2-(benzylsulfonylamino)acetamide (CID 9104171) is N-benzyl-2-(benzylsulfonylamino)acetamide.
What is the SMILES notation for N-benzyl-2-(benzylsulfonylamino)acetamide?
The canonical SMILES for N-benzyl-2-(benzylsulfonylamino)acetamide is O=C(CNS(=O)(=O)Cc1ccccc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(benzylsulfonylamino)acetamide?
The InChIKey is JKRKUEJIPSVOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c19-16(17-11-14-7-3-1-4-8-14)12-18-22(20,21)13-15-9-5-2-6-10-15/h1-10,18H,11-13H2,(H,17,19).
What are the key properties of N-benzyl-2-(benzylsulfonylamino)acetamide?
N-benzyl-2-(benzylsulfonylamino)acetamide has a molecular weight of 318.40 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(benzylsulfonylamino)acetamide is sourced from PubChem (CID 9104171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).