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

C22H23N3O4S — CID 53161445

IUPAC2-[3-(benzenesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-benzyl-N-methylacetamide
SMILESCc1ccc(NS(=O)(=O)c2ccccc2)c(=O)n1CC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C22H23N3O4S/c1-17-13-14-20(23-30(28,29)19-11-7-4-8-12-19)22(27)25(17)16-21(26)24(2)15-18-9-5-3-6-10-18/h3-14,23H,15-16H2,1-2H3
InChIKeyCYKBIMJXCBNEIZ-UHFFFAOYSA-N
MW425.51 g/mol
LogP2.62
Rot. Bonds7

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

2-[3-(benzenesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-benzyl-N-methylacetamide (PubChem CID 53161445) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is 2-[3-(benzenesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-benzyl-N-methylacetamide.

Molecular Properties

Compound Name2-[3-(benzenesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-benzyl-N-methylacetamide
PubChem CID53161445
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC Name2-[3-(benzenesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-benzyl-N-methylacetamide
SMILESCc1ccc(NS(=O)(=O)c2ccccc2)c(=O)n1CC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C22H23N3O4S/c1-17-13-14-20(23-30(28,29)19-11-7-4-8-12-19)22(27)25(17)16-21(26)24(2)15-18-9-5-3-6-10-18/h3-14,23H,15-16H2,1-2H3
InChIKeyCYKBIMJXCBNEIZ-UHFFFAOYSA-N
XLogP2.62
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-benzyl-N-methylacetamide?
The IUPAC name of 2-[3-(benzenesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-benzyl-N-methylacetamide (CID 53161445) is 2-[3-(benzenesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-benzyl-N-methylacetamide.
What is the SMILES notation for 2-[3-(benzenesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-benzyl-N-methylacetamide?
The canonical SMILES for 2-[3-(benzenesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-benzyl-N-methylacetamide is Cc1ccc(NS(=O)(=O)c2ccccc2)c(=O)n1CC(=O)N(C)Cc1ccccc1.
What is the InChIKey of 2-[3-(benzenesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-benzyl-N-methylacetamide?
The InChIKey is CYKBIMJXCBNEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-17-13-14-20(23-30(28,29)19-11-7-4-8-12-19)22(27)25(17)16-21(26)24(2)15-18-9-5-3-6-10-18/h3-14,23H,15-16H2,1-2H3.
What are the key properties of 2-[3-(benzenesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-benzyl-N-methylacetamide?
2-[3-(benzenesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-benzyl-N-methylacetamide has a molecular weight of 425.51 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-benzyl-N-methylacetamide is sourced from PubChem (CID 53161445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).