2-[3-(benzenesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-[(4-methylphenyl)methyl]acetamide

C22H23N3O4S — CID 53161440

IUPAC2-[3-(benzenesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cn2c(C)ccc(NS(=O)(=O)c3ccccc3)c2=O)cc1
InChIInChI=1S/C22H23N3O4S/c1-16-8-11-18(12-9-16)14-23-21(26)15-25-17(2)10-13-20(22(25)27)24-30(28,29)19-6-4-3-5-7-19/h3-13,24H,14-15H2,1-2H3,(H,23,26)
InChIKeySFFQFHPBGHZUHI-UHFFFAOYSA-N
MW425.51 g/mol
LogP2.58
Rot. Bonds7

About 2-[3-(benzenesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-[(4-methylphenyl)methyl]acetamide

2-[3-(benzenesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 53161440) 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-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(benzenesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID53161440
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC Name2-[3-(benzenesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cn2c(C)ccc(NS(=O)(=O)c3ccccc3)c2=O)cc1
InChIInChI=1S/C22H23N3O4S/c1-16-8-11-18(12-9-16)14-23-21(26)15-25-17(2)10-13-20(22(25)27)24-30(28,29)19-6-4-3-5-7-19/h3-13,24H,14-15H2,1-2H3,(H,23,26)
InChIKeySFFQFHPBGHZUHI-UHFFFAOYSA-N
XLogP2.58
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3-(benzenesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-[(4-methylphenyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[3-(benzenesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-[(4-methylphenyl)methyl]acetamide (CID 53161440) is 2-[3-(benzenesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[3-(benzenesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[3-(benzenesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)Cn2c(C)ccc(NS(=O)(=O)c3ccccc3)c2=O)cc1.
What is the InChIKey of 2-[3-(benzenesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is SFFQFHPBGHZUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-16-8-11-18(12-9-16)14-23-21(26)15-25-17(2)10-13-20(22(25)27)24-30(28,29)19-6-4-3-5-7-19/h3-13,24H,14-15H2,1-2H3,(H,23,26).
What are the key properties of 2-[3-(benzenesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-[(4-methylphenyl)methyl]acetamide?
2-[3-(benzenesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 425.51 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 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-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 53161440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).