2-[2,4,6-trimethyl-3-[methyl(2-pyridin-4-ylethyl)sulfamoyl]phenyl]acetic acid

C19H24N2O4S — CID 146130218

IUPAC2-[2,4,6-trimethyl-3-[methyl(2-pyridin-4-ylethyl)sulfamoyl]phenyl]acetic acid
SMILESCc1cc(C)c(S(=O)(=O)N(C)CCc2ccncc2)c(C)c1CC(=O)O
InChIInChI=1S/C19H24N2O4S/c1-13-11-14(2)19(15(3)17(13)12-18(22)23)26(24,25)21(4)10-7-16-5-8-20-9-6-16/h5-6,8-9,11H,7,10,12H2,1-4H3,(H,22,23)
InChIKeyGMRPBAMULCNKHI-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.50
Rot. Bonds7

About 2-[2,4,6-trimethyl-3-[methyl(2-pyridin-4-ylethyl)sulfamoyl]phenyl]acetic acid

2-[2,4,6-trimethyl-3-[methyl(2-pyridin-4-ylethyl)sulfamoyl]phenyl]acetic acid (PubChem CID 146130218) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 2-[2,4,6-trimethyl-3-[methyl(2-pyridin-4-ylethyl)sulfamoyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2,4,6-trimethyl-3-[methyl(2-pyridin-4-ylethyl)sulfamoyl]phenyl]acetic acid
PubChem CID146130218
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name2-[2,4,6-trimethyl-3-[methyl(2-pyridin-4-ylethyl)sulfamoyl]phenyl]acetic acid
SMILESCc1cc(C)c(S(=O)(=O)N(C)CCc2ccncc2)c(C)c1CC(=O)O
InChIInChI=1S/C19H24N2O4S/c1-13-11-14(2)19(15(3)17(13)12-18(22)23)26(24,25)21(4)10-7-16-5-8-20-9-6-16/h5-6,8-9,11H,7,10,12H2,1-4H3,(H,22,23)
InChIKeyGMRPBAMULCNKHI-UHFFFAOYSA-N
XLogP2.50
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2,4,6-trimethyl-3-[methyl(2-pyridin-4-ylethyl)sulfamoyl]phenyl]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

2-methoxy-N,4,6-trimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 110759535
5-[methyl(2-pyridin-4-ylethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61027898
N-(dimethylsulfamoyl)-N-methyl-2-pyridin-4-ylethanamine
CID 110755632
3-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid
CID 39385586
3,4-difluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 110757618
N-methyl-N-(2-pyridin-4-ylethyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 113154369
4-fluoro-N,2,6-trimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 107326739
(2R)-3-hydroxy-2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]propanoic acid
CID 80756722
2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 60913202
4-pyridin-4-yl-1-(2,4,6-trimethylphenyl)butan-2-one
CID 105085803
2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]acetic acid
CID 60914415
3-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 110757356

Frequently Asked Questions

What is the IUPAC name of 2-[2,4,6-trimethyl-3-[methyl(2-pyridin-4-ylethyl)sulfamoyl]phenyl]acetic acid?
The IUPAC name of 2-[2,4,6-trimethyl-3-[methyl(2-pyridin-4-ylethyl)sulfamoyl]phenyl]acetic acid (CID 146130218) is 2-[2,4,6-trimethyl-3-[methyl(2-pyridin-4-ylethyl)sulfamoyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2,4,6-trimethyl-3-[methyl(2-pyridin-4-ylethyl)sulfamoyl]phenyl]acetic acid?
The canonical SMILES for 2-[2,4,6-trimethyl-3-[methyl(2-pyridin-4-ylethyl)sulfamoyl]phenyl]acetic acid is Cc1cc(C)c(S(=O)(=O)N(C)CCc2ccncc2)c(C)c1CC(=O)O.
What is the InChIKey of 2-[2,4,6-trimethyl-3-[methyl(2-pyridin-4-ylethyl)sulfamoyl]phenyl]acetic acid?
The InChIKey is GMRPBAMULCNKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-13-11-14(2)19(15(3)17(13)12-18(22)23)26(24,25)21(4)10-7-16-5-8-20-9-6-16/h5-6,8-9,11H,7,10,12H2,1-4H3,(H,22,23).
What are the key properties of 2-[2,4,6-trimethyl-3-[methyl(2-pyridin-4-ylethyl)sulfamoyl]phenyl]acetic acid?
2-[2,4,6-trimethyl-3-[methyl(2-pyridin-4-ylethyl)sulfamoyl]phenyl]acetic acid has a molecular weight of 376.48 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4,6-trimethyl-3-[methyl(2-pyridin-4-ylethyl)sulfamoyl]phenyl]acetic acid is sourced from PubChem (CID 146130218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).