2-methyl-2-[methyl-[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]propanoic acid

C19H22N2O5S — CID 119200789

IUPAC2-methyl-2-[methyl-[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]propanoic acid
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)N(C)C(C)(C)C(=O)O)c2)cc1
InChIInChI=1S/C19H22N2O5S/c1-13-8-10-15(11-9-13)20-27(25,26)16-7-5-6-14(12-16)17(22)21(4)19(2,3)18(23)24/h5-12,20H,1-4H3,(H,23,24)
InChIKeyQTAWWRDCWVMBEU-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.73
Rot. Bonds6

About 2-methyl-2-[methyl-[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]propanoic acid

2-methyl-2-[methyl-[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]propanoic acid (PubChem CID 119200789) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 2-methyl-2-[methyl-[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]propanoic acid
PubChem CID119200789
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name2-methyl-2-[methyl-[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]propanoic acid
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)N(C)C(C)(C)C(=O)O)c2)cc1
InChIInChI=1S/C19H22N2O5S/c1-13-8-10-15(11-9-13)20-27(25,26)16-7-5-6-14(12-16)17(22)21(4)19(2,3)18(23)24/h5-12,20H,1-4H3,(H,23,24)
InChIKeyQTAWWRDCWVMBEU-UHFFFAOYSA-N
XLogP2.73
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 834756
N-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 3284384
N-(2-amino-2-methylpropyl)-3-[(4-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119628934
3-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26499000
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 25391329
N-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 9020414
N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 39687761
2-[[3-(dimethylcarbamoyl)benzoyl]-methylamino]-2-methylpropanoic acid
CID 120518687
3-[(3,4-dimethylphenyl)sulfamoyl]-N-methyl-N-phenylbenzamide
CID 109065745
5-[[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid
CID 119235246
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 2501045
3-(azocane-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
CID 24982887

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]propanoic acid (CID 119200789) is 2-methyl-2-[methyl-[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]propanoic acid is Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N(C)C(C)(C)C(=O)O)c2)cc1.
What is the InChIKey of 2-methyl-2-[methyl-[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]propanoic acid?
The InChIKey is QTAWWRDCWVMBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-13-8-10-15(11-9-13)20-27(25,26)16-7-5-6-14(12-16)17(22)21(4)19(2,3)18(23)24/h5-12,20H,1-4H3,(H,23,24).
What are the key properties of 2-methyl-2-[methyl-[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]propanoic acid?
2-methyl-2-[methyl-[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]propanoic acid has a molecular weight of 390.46 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]propanoic acid is sourced from PubChem (CID 119200789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).