2-[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]butanoic acid

C19H22N2O5S — CID 119223202

IUPAC2-[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]butanoic acid
SMILESCCC(NC(=O)c1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1)C(=O)O
InChIInChI=1S/C19H22N2O5S/c1-4-16(19(23)24)20-18(22)14-8-10-15(11-9-14)27(25,26)21-17-7-5-6-12(2)13(17)3/h5-11,16,21H,4H2,1-3H3,(H,20,22)(H,23,24)
InChIKeyNUGRNGALOYYLCR-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.70
Rot. Bonds7

About 2-[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]butanoic acid

2-[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]butanoic acid (PubChem CID 119223202) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 2-[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]butanoic acid
PubChem CID119223202
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name2-[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]butanoic acid
SMILESCCC(NC(=O)c1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1)C(=O)O
InChIInChI=1S/C19H22N2O5S/c1-4-16(19(23)24)20-18(22)14-8-10-15(11-9-14)27(25,26)21-17-7-5-6-12(2)13(17)3/h5-11,16,21H,4H2,1-3H3,(H,20,22)(H,23,24)
InChIKeyNUGRNGALOYYLCR-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-butyl-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 9414249
2-[[2-methyl-5-[(2-methylphenyl)sulfamoyl]benzoyl]amino]butanoic acid
CID 119223855
4-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-ethyl-6-methylphenyl)benzamide
CID 112770782
N-(2-amino-1-cyclopropylethyl)-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119615381
N-butan-2-yl-3-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 109063059
2-[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]ethyl-diethylazanium
CID 9315050
N-[2-(dimethylamino)ethyl]-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 109060082
4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 60574259
4-[(2,3-dimethylphenyl)sulfamoyl]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 60518186
4-[(2,3-dimethylphenyl)sulfamoyl]-N-[2-(N-methylanilino)ethyl]benzamide
CID 27040602
N-[(2R)-2-(dimethylamino)-3-phenylpropyl]-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 27032355
4-[(2,3-dimethylphenyl)sulfamoyl]-N-(1-propylpiperidin-4-yl)benzamide
CID 9264696

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]butanoic acid?
The IUPAC name of 2-[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]butanoic acid (CID 119223202) is 2-[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]butanoic acid.
What is the SMILES notation for 2-[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]butanoic acid?
The canonical SMILES for 2-[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]butanoic acid is CCC(NC(=O)c1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1)C(=O)O.
What is the InChIKey of 2-[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]butanoic acid?
The InChIKey is NUGRNGALOYYLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-4-16(19(23)24)20-18(22)14-8-10-15(11-9-14)27(25,26)21-17-7-5-6-12(2)13(17)3/h5-11,16,21H,4H2,1-3H3,(H,20,22)(H,23,24).
What are the key properties of 2-[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]butanoic acid?
2-[[4-[(2,3-dimethylphenyl)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-[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]butanoic acid is sourced from PubChem (CID 119223202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).