2-[[2-methyl-5-[(2-methylphenyl)sulfamoyl]benzoyl]amino]butanoic acid

C19H22N2O5S — CID 119223855

IUPAC2-[[2-methyl-5-[(2-methylphenyl)sulfamoyl]benzoyl]amino]butanoic acid
SMILESCCC(NC(=O)c1cc(S(=O)(=O)Nc2ccccc2C)ccc1C)C(=O)O
InChIInChI=1S/C19H22N2O5S/c1-4-16(19(23)24)20-18(22)15-11-14(10-9-12(15)2)27(25,26)21-17-8-6-5-7-13(17)3/h5-11,16,21H,4H2,1-3H3,(H,20,22)(H,23,24)
InChIKeyGEVHPZLMUITQKC-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.70
Rot. Bonds7

About 2-[[2-methyl-5-[(2-methylphenyl)sulfamoyl]benzoyl]amino]butanoic acid

2-[[2-methyl-5-[(2-methylphenyl)sulfamoyl]benzoyl]amino]butanoic acid (PubChem CID 119223855) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 2-[[2-methyl-5-[(2-methylphenyl)sulfamoyl]benzoyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[2-methyl-5-[(2-methylphenyl)sulfamoyl]benzoyl]amino]butanoic acid
PubChem CID119223855
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name2-[[2-methyl-5-[(2-methylphenyl)sulfamoyl]benzoyl]amino]butanoic acid
SMILESCCC(NC(=O)c1cc(S(=O)(=O)Nc2ccccc2C)ccc1C)C(=O)O
InChIInChI=1S/C19H22N2O5S/c1-4-16(19(23)24)20-18(22)15-11-14(10-9-12(15)2)27(25,26)21-17-8-6-5-7-13(17)3/h5-11,16,21H,4H2,1-3H3,(H,20,22)(H,23,24)
InChIKeyGEVHPZLMUITQKC-UHFFFAOYSA-N
XLogP2.70
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methoxypropan-2-yl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 42938964
2-[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]butanoic acid
CID 119223202
N-(3-anilinopropyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 56586349
N-(2-fluorophenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 34857283
N-cycloheptyl-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 25342365
5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-(4-phenylbutan-2-yl)benzamide
CID 24538338
N-(4-carbamoyl-3-methylphenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 56527434
2-methoxy-5-[(2-methylphenyl)sulfamoyl]-N-propylbenzamide
CID 27261659
N-(4-amino-3,5-dichlorophenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 55465626
2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 25470615
[(2R)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] 2-methyl-5-[(2-methylphenyl)sulfamoyl]benzoate
CID 25331633
2-[[2-(propylsulfonylamino)benzoyl]amino]butanoic acid
CID 120523197

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-5-[(2-methylphenyl)sulfamoyl]benzoyl]amino]butanoic acid?
The IUPAC name of 2-[[2-methyl-5-[(2-methylphenyl)sulfamoyl]benzoyl]amino]butanoic acid (CID 119223855) is 2-[[2-methyl-5-[(2-methylphenyl)sulfamoyl]benzoyl]amino]butanoic acid.
What is the SMILES notation for 2-[[2-methyl-5-[(2-methylphenyl)sulfamoyl]benzoyl]amino]butanoic acid?
The canonical SMILES for 2-[[2-methyl-5-[(2-methylphenyl)sulfamoyl]benzoyl]amino]butanoic acid is CCC(NC(=O)c1cc(S(=O)(=O)Nc2ccccc2C)ccc1C)C(=O)O.
What is the InChIKey of 2-[[2-methyl-5-[(2-methylphenyl)sulfamoyl]benzoyl]amino]butanoic acid?
The InChIKey is GEVHPZLMUITQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-4-16(19(23)24)20-18(22)15-11-14(10-9-12(15)2)27(25,26)21-17-8-6-5-7-13(17)3/h5-11,16,21H,4H2,1-3H3,(H,20,22)(H,23,24).
What are the key properties of 2-[[2-methyl-5-[(2-methylphenyl)sulfamoyl]benzoyl]amino]butanoic acid?
2-[[2-methyl-5-[(2-methylphenyl)sulfamoyl]benzoyl]amino]butanoic acid has a molecular weight of 390.46 g/mol, XLogP of 2.70, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-5-[(2-methylphenyl)sulfamoyl]benzoyl]amino]butanoic acid is sourced from PubChem (CID 119223855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).