2-methyl-2-[4-[(4-methyl-3-methylsulfonylbenzoyl)amino]phenyl]propanoic acid

C19H21NO5S — CID 119253841

IUPAC2-methyl-2-[4-[(4-methyl-3-methylsulfonylbenzoyl)amino]phenyl]propanoic acid
SMILESCc1ccc(C(=O)Nc2ccc(C(C)(C)C(=O)O)cc2)cc1S(C)(=O)=O
InChIInChI=1S/C19H21NO5S/c1-12-5-6-13(11-16(12)26(4,24)25)17(21)20-15-9-7-14(8-10-15)19(2,3)18(22)23/h5-11H,1-4H3,(H,20,21)(H,22,23)
InChIKeyQHWKHUCHXGOAQH-UHFFFAOYSA-N
MW375.45 g/mol
LogP3.01
Rot. Bonds5

About 2-methyl-2-[4-[(4-methyl-3-methylsulfonylbenzoyl)amino]phenyl]propanoic acid

2-methyl-2-[4-[(4-methyl-3-methylsulfonylbenzoyl)amino]phenyl]propanoic acid (PubChem CID 119253841) has the molecular formula C19H21NO5S and a molecular weight of 375.45 g/mol. Its IUPAC name is 2-methyl-2-[4-[(4-methyl-3-methylsulfonylbenzoyl)amino]phenyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-[(4-methyl-3-methylsulfonylbenzoyl)amino]phenyl]propanoic acid
PubChem CID119253841
Molecular FormulaC19H21NO5S
Molecular Weight375.45 g/mol
Exact Mass375.11
IUPAC Name2-methyl-2-[4-[(4-methyl-3-methylsulfonylbenzoyl)amino]phenyl]propanoic acid
SMILESCc1ccc(C(=O)Nc2ccc(C(C)(C)C(=O)O)cc2)cc1S(C)(=O)=O
InChIInChI=1S/C19H21NO5S/c1-12-5-6-13(11-16(12)26(4,24)25)17(21)20-15-9-7-14(8-10-15)19(2,3)18(22)23/h5-11H,1-4H3,(H,20,21)(H,22,23)
InChIKeyQHWKHUCHXGOAQH-UHFFFAOYSA-N
XLogP3.01
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-2-[4-[(4-methyl-3-methylsulfonylbenzoyl)amino]phenyl]propanoic 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-[4-[(3-methoxy-4-methylbenzoyl)amino]phenyl]-2-methylpropanoic acid
CID 119253822
2-[4-[(2,5-dimethylbenzoyl)amino]phenyl]-2-methylpropanoic acid
CID 119254214
N-(4-fluorophenyl)-4-methyl-3-sulfamoylbenzamide
CID 9070427
2-methyl-2-[4-[(5-methylsulfonylthiophene-2-carbonyl)amino]phenyl]propanoic acid
CID 122108024
4-[[3-[(4-chlorophenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoic acid
CID 1144112
2-methyl-2-[4-[(2-methylbenzoyl)amino]phenyl]propanoic acid
CID 84587288
2-[4-[(4-methoxy-2-methylbenzoyl)amino]phenyl]-2-methylpropanoic acid
CID 119253814
N-(4-tert-butylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 8779876
2-[4-[[4-(ethylsulfanylmethyl)benzoyl]amino]phenyl]-2-methylpropanoic acid
CID 119253809
2-methyl-2-[4-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]phenyl]propanoic acid
CID 120528782
2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]phenyl]propanoic acid
CID 119254165
2-methyl-2-[4-[(3-methylfuran-2-carbonyl)amino]phenyl]propanoic acid
CID 80549404

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[(4-methyl-3-methylsulfonylbenzoyl)amino]phenyl]propanoic acid?
The IUPAC name of 2-methyl-2-[4-[(4-methyl-3-methylsulfonylbenzoyl)amino]phenyl]propanoic acid (CID 119253841) is 2-methyl-2-[4-[(4-methyl-3-methylsulfonylbenzoyl)amino]phenyl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-[(4-methyl-3-methylsulfonylbenzoyl)amino]phenyl]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-[(4-methyl-3-methylsulfonylbenzoyl)amino]phenyl]propanoic acid is Cc1ccc(C(=O)Nc2ccc(C(C)(C)C(=O)O)cc2)cc1S(C)(=O)=O.
What is the InChIKey of 2-methyl-2-[4-[(4-methyl-3-methylsulfonylbenzoyl)amino]phenyl]propanoic acid?
The InChIKey is QHWKHUCHXGOAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5S/c1-12-5-6-13(11-16(12)26(4,24)25)17(21)20-15-9-7-14(8-10-15)19(2,3)18(22)23/h5-11H,1-4H3,(H,20,21)(H,22,23).
What are the key properties of 2-methyl-2-[4-[(4-methyl-3-methylsulfonylbenzoyl)amino]phenyl]propanoic acid?
2-methyl-2-[4-[(4-methyl-3-methylsulfonylbenzoyl)amino]phenyl]propanoic acid has a molecular weight of 375.45 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[(4-methyl-3-methylsulfonylbenzoyl)amino]phenyl]propanoic acid is sourced from PubChem (CID 119253841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).