2-[6-methyl-3-[(3-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetic acid

C15H16N2O5S — CID 12072027

IUPAC2-[6-methyl-3-[(3-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetic acid
SMILESCc1cccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)O)c2=O)c1
InChIInChI=1S/C15H16N2O5S/c1-10-4-3-5-12(8-10)23(21,22)16-13-7-6-11(2)17(15(13)20)9-14(18)19/h3-8,16H,9H2,1-2H3,(H,18,19)
InChIKeyQFBSQLOILNOTDJ-UHFFFAOYSA-N
MW336.37 g/mol
LogP1.35
Rot. Bonds5

About 2-[6-methyl-3-[(3-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetic acid

2-[6-methyl-3-[(3-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetic acid (PubChem CID 12072027) has the molecular formula C15H16N2O5S and a molecular weight of 336.37 g/mol. Its IUPAC name is 2-[6-methyl-3-[(3-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-methyl-3-[(3-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetic acid
PubChem CID12072027
Molecular FormulaC15H16N2O5S
Molecular Weight336.37 g/mol
Exact Mass336.08
IUPAC Name2-[6-methyl-3-[(3-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetic acid
SMILESCc1cccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)O)c2=O)c1
InChIInChI=1S/C15H16N2O5S/c1-10-4-3-5-12(8-10)23(21,22)16-13-7-6-11(2)17(15(13)20)9-14(18)19/h3-8,16H,9H2,1-2H3,(H,18,19)
InChIKeyQFBSQLOILNOTDJ-UHFFFAOYSA-N
XLogP1.35
TPSA105.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[6-methyl-3-[(3-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetic acid with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(diaminomethylideneamino)oxyethyl]-2-[6-methyl-3-[(3-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide
CID 15887336
methyl N-[N'-[2-[[2-[6-methyl-3-[(3-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetyl]amino]ethoxy]carbamimidoyl]carbamate
CID 135966598
N-[2-[carbamimidoyl(ethyl)amino]oxyethyl]-2-[6-methyl-3-[(3-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide
CID 22949227
2-[3-(benzenesulfonamido)-2-oxoquinolin-1-yl]acetic acid
CID 22556005
methyl (1Z)-N-[(NZ)-N-(1-methoxypentylidene)-N'-[2-[[2-[6-methyl-3-[(3-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetyl]amino]ethoxy]carbamimidoyl]pentanimidate
CID 18293455
2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetic acid
CID 11703116
N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104337
N-(2-methoxyphenyl)-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide
CID 53161468
4-methyl-N-[6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-3-pyridinyl]benzenesulfonamide
CID 87050646
2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(1-pyridin-2-ylethyl)acetamide
CID 87050648
N-benzyl-2-[3-[(4-methoxyphenyl)sulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide
CID 53161501
2-[3-[(3-bromophenyl)sulfonylamino]-6-methyl-2-oxo-1-pyridinyl]-N-[2-(diaminomethylideneamino)oxyethyl]acetamide;2,2,2-trifluoroacetic acid
CID 87781600

Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-3-[(3-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetic acid?
The IUPAC name of 2-[6-methyl-3-[(3-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetic acid (CID 12072027) is 2-[6-methyl-3-[(3-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-methyl-3-[(3-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-methyl-3-[(3-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetic acid is Cc1cccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)O)c2=O)c1.
What is the InChIKey of 2-[6-methyl-3-[(3-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetic acid?
The InChIKey is QFBSQLOILNOTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5S/c1-10-4-3-5-12(8-10)23(21,22)16-13-7-6-11(2)17(15(13)20)9-14(18)19/h3-8,16H,9H2,1-2H3,(H,18,19).
What are the key properties of 2-[6-methyl-3-[(3-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetic acid?
2-[6-methyl-3-[(3-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetic acid has a molecular weight of 336.37 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-3-[(3-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetic acid is sourced from PubChem (CID 12072027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).