N-benzyl-2-[3-(ethylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-methylacetamide

C18H23N3O4S — CID 53161416

IUPACN-benzyl-2-[3-(ethylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-methylacetamide
SMILESCCS(=O)(=O)Nc1ccc(C)n(CC(=O)N(C)Cc2ccccc2)c1=O
InChIInChI=1S/C18H23N3O4S/c1-4-26(24,25)19-16-11-10-14(2)21(18(16)23)13-17(22)20(3)12-15-8-6-5-7-9-15/h5-11,19H,4,12-13H2,1-3H3
InChIKeyXZNLSJLBBNGENC-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.58
Rot. Bonds7

About N-benzyl-2-[3-(ethylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-methylacetamide

N-benzyl-2-[3-(ethylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-methylacetamide (PubChem CID 53161416) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-benzyl-2-[3-(ethylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[3-(ethylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-methylacetamide
PubChem CID53161416
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC NameN-benzyl-2-[3-(ethylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-methylacetamide
SMILESCCS(=O)(=O)Nc1ccc(C)n(CC(=O)N(C)Cc2ccccc2)c1=O
InChIInChI=1S/C18H23N3O4S/c1-4-26(24,25)19-16-11-10-14(2)21(18(16)23)13-17(22)20(3)12-15-8-6-5-7-9-15/h5-11,19H,4,12-13H2,1-3H3
InChIKeyXZNLSJLBBNGENC-UHFFFAOYSA-N
XLogP1.58
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[3-(ethylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-methylacetamide?
The IUPAC name of N-benzyl-2-[3-(ethylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-methylacetamide (CID 53161416) is N-benzyl-2-[3-(ethylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-[3-(ethylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-methylacetamide?
The canonical SMILES for N-benzyl-2-[3-(ethylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-methylacetamide is CCS(=O)(=O)Nc1ccc(C)n(CC(=O)N(C)Cc2ccccc2)c1=O.
What is the InChIKey of N-benzyl-2-[3-(ethylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-methylacetamide?
The InChIKey is XZNLSJLBBNGENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-4-26(24,25)19-16-11-10-14(2)21(18(16)23)13-17(22)20(3)12-15-8-6-5-7-9-15/h5-11,19H,4,12-13H2,1-3H3.
What are the key properties of N-benzyl-2-[3-(ethylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-methylacetamide?
N-benzyl-2-[3-(ethylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-methylacetamide has a molecular weight of 377.47 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[3-(ethylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-methylacetamide is sourced from PubChem (CID 53161416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).