4-[[2-methyl-4-(methylcarbamoyl)phenyl]sulfamoyl]butanoic acid

C13H18N2O5S — CID 43699845

IUPAC4-[[2-methyl-4-(methylcarbamoyl)phenyl]sulfamoyl]butanoic acid
SMILESCNC(=O)c1ccc(NS(=O)(=O)CCCC(=O)O)c(C)c1
InChIInChI=1S/C13H18N2O5S/c1-9-8-10(13(18)14-2)5-6-11(9)15-21(19,20)7-3-4-12(16)17/h5-6,8,15H,3-4,7H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyMFLRLFCZQZESGW-UHFFFAOYSA-N
MW314.36 g/mol
LogP0.96
Rot. Bonds7

About 4-[[2-methyl-4-(methylcarbamoyl)phenyl]sulfamoyl]butanoic acid

4-[[2-methyl-4-(methylcarbamoyl)phenyl]sulfamoyl]butanoic acid (PubChem CID 43699845) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is 4-[[2-methyl-4-(methylcarbamoyl)phenyl]sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[[2-methyl-4-(methylcarbamoyl)phenyl]sulfamoyl]butanoic acid
PubChem CID43699845
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Name4-[[2-methyl-4-(methylcarbamoyl)phenyl]sulfamoyl]butanoic acid
SMILESCNC(=O)c1ccc(NS(=O)(=O)CCCC(=O)O)c(C)c1
InChIInChI=1S/C13H18N2O5S/c1-9-8-10(13(18)14-2)5-6-11(9)15-21(19,20)7-3-4-12(16)17/h5-6,8,15H,3-4,7H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyMFLRLFCZQZESGW-UHFFFAOYSA-N
XLogP0.96
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[2-methyl-4-(methylcarbamoyl)phenyl]sulfamoyl]butanoic 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

4-[(4-fluoro-2-methylphenyl)sulfamoyl]butanoic acid
CID 28773802
N,3-dimethyl-4-(sulfamoylamino)benzamide
CID 112573608
4-[(2-methylphenyl)sulfamoyl]butanoic acid
CID 28513713
4-[(2-methyl-4-nitrophenyl)sulfamoyl]butanoic acid
CID 43712843
4-[2-methyl-4-(methylcarbamoyl)anilino]-4-oxobutanoic acid
CID 54868212
methyl 4-[(4-carbamoyl-2-methylphenyl)sulfamoyl]butanoate
CID 61460295
4-(4-chlorobutylsulfonylamino)-N-ethyl-3-methylbenzamide
CID 116815851
N,3-dimethyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 41465640
5-[2-methyl-5-(methylcarbamoyl)anilino]-5-oxopentanoic acid
CID 60941385
4-[(2,4-dimethyl-5-nitrophenyl)sulfamoyl]butanoic acid
CID 104757308
4-[(2,4-dibromophenyl)sulfamoyl]butanoic acid
CID 43705525
4-[(2-methoxy-5-methylphenyl)sulfamoyl]butanoic acid
CID 28513919

Frequently Asked Questions

What is the IUPAC name of 4-[[2-methyl-4-(methylcarbamoyl)phenyl]sulfamoyl]butanoic acid?
The IUPAC name of 4-[[2-methyl-4-(methylcarbamoyl)phenyl]sulfamoyl]butanoic acid (CID 43699845) is 4-[[2-methyl-4-(methylcarbamoyl)phenyl]sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[[2-methyl-4-(methylcarbamoyl)phenyl]sulfamoyl]butanoic acid?
The canonical SMILES for 4-[[2-methyl-4-(methylcarbamoyl)phenyl]sulfamoyl]butanoic acid is CNC(=O)c1ccc(NS(=O)(=O)CCCC(=O)O)c(C)c1.
What is the InChIKey of 4-[[2-methyl-4-(methylcarbamoyl)phenyl]sulfamoyl]butanoic acid?
The InChIKey is MFLRLFCZQZESGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c1-9-8-10(13(18)14-2)5-6-11(9)15-21(19,20)7-3-4-12(16)17/h5-6,8,15H,3-4,7H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 4-[[2-methyl-4-(methylcarbamoyl)phenyl]sulfamoyl]butanoic acid?
4-[[2-methyl-4-(methylcarbamoyl)phenyl]sulfamoyl]butanoic acid has a molecular weight of 314.36 g/mol, XLogP of 0.96, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methyl-4-(methylcarbamoyl)phenyl]sulfamoyl]butanoic acid is sourced from PubChem (CID 43699845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).