N-(6-benzyl-1-methyl-2-oxo-3-pyridinyl)-2-phenylethanesulfonamide

C21H22N2O3S — CID 67651397

IUPACN-(6-benzyl-1-methyl-2-oxo-3-pyridinyl)-2-phenylethanesulfonamide
SMILESCn1c(Cc2ccccc2)ccc(NS(=O)(=O)CCc2ccccc2)c1=O
InChIInChI=1S/C21H22N2O3S/c1-23-19(16-18-10-6-3-7-11-18)12-13-20(21(23)24)22-27(25,26)15-14-17-8-4-2-5-9-17/h2-13,22H,14-16H2,1H3
InChIKeyBGCQOFBDQVYDJG-UHFFFAOYSA-N
MW382.49 g/mol
LogP2.96
Rot. Bonds7

About N-(6-benzyl-1-methyl-2-oxo-3-pyridinyl)-2-phenylethanesulfonamide

N-(6-benzyl-1-methyl-2-oxo-3-pyridinyl)-2-phenylethanesulfonamide (PubChem CID 67651397) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-(6-benzyl-1-methyl-2-oxo-3-pyridinyl)-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-(6-benzyl-1-methyl-2-oxo-3-pyridinyl)-2-phenylethanesulfonamide
PubChem CID67651397
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC NameN-(6-benzyl-1-methyl-2-oxo-3-pyridinyl)-2-phenylethanesulfonamide
SMILESCn1c(Cc2ccccc2)ccc(NS(=O)(=O)CCc2ccccc2)c1=O
InChIInChI=1S/C21H22N2O3S/c1-23-19(16-18-10-6-3-7-11-18)12-13-20(21(23)24)22-27(25,26)15-14-17-8-4-2-5-9-17/h2-13,22H,14-16H2,1H3
InChIKeyBGCQOFBDQVYDJG-UHFFFAOYSA-N
XLogP2.96
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-benzyl-1-methyl-2-oxo-3-pyridinyl)-2-phenylethanesulfonamide?
The IUPAC name of N-(6-benzyl-1-methyl-2-oxo-3-pyridinyl)-2-phenylethanesulfonamide (CID 67651397) is N-(6-benzyl-1-methyl-2-oxo-3-pyridinyl)-2-phenylethanesulfonamide.
What is the SMILES notation for N-(6-benzyl-1-methyl-2-oxo-3-pyridinyl)-2-phenylethanesulfonamide?
The canonical SMILES for N-(6-benzyl-1-methyl-2-oxo-3-pyridinyl)-2-phenylethanesulfonamide is Cn1c(Cc2ccccc2)ccc(NS(=O)(=O)CCc2ccccc2)c1=O.
What is the InChIKey of N-(6-benzyl-1-methyl-2-oxo-3-pyridinyl)-2-phenylethanesulfonamide?
The InChIKey is BGCQOFBDQVYDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-23-19(16-18-10-6-3-7-11-18)12-13-20(21(23)24)22-27(25,26)15-14-17-8-4-2-5-9-17/h2-13,22H,14-16H2,1H3.
What are the key properties of N-(6-benzyl-1-methyl-2-oxo-3-pyridinyl)-2-phenylethanesulfonamide?
N-(6-benzyl-1-methyl-2-oxo-3-pyridinyl)-2-phenylethanesulfonamide has a molecular weight of 382.49 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-benzyl-1-methyl-2-oxo-3-pyridinyl)-2-phenylethanesulfonamide is sourced from PubChem (CID 67651397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).