2-[(4-carbamoyl-2-methylphenyl)sulfamoyl]propanoic acid

C11H14N2O5S — CID 61454869

IUPAC2-[(4-carbamoyl-2-methylphenyl)sulfamoyl]propanoic acid
SMILESCc1cc(C(N)=O)ccc1NS(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C11H14N2O5S/c1-6-5-8(10(12)14)3-4-9(6)13-19(17,18)7(2)11(15)16/h3-5,7,13H,1-2H3,(H2,12,14)(H,15,16)
InChIKeyAWJCZNOSFMUDFP-UHFFFAOYSA-N
MW286.31 g/mol
LogP0.31
Rot. Bonds5

About 2-[(4-carbamoyl-2-methylphenyl)sulfamoyl]propanoic acid

2-[(4-carbamoyl-2-methylphenyl)sulfamoyl]propanoic acid (PubChem CID 61454869) has the molecular formula C11H14N2O5S and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-[(4-carbamoyl-2-methylphenyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[(4-carbamoyl-2-methylphenyl)sulfamoyl]propanoic acid
PubChem CID61454869
Molecular FormulaC11H14N2O5S
Molecular Weight286.31 g/mol
Exact Mass286.06
IUPAC Name2-[(4-carbamoyl-2-methylphenyl)sulfamoyl]propanoic acid
SMILESCc1cc(C(N)=O)ccc1NS(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C11H14N2O5S/c1-6-5-8(10(12)14)3-4-9(6)13-19(17,18)7(2)11(15)16/h3-5,7,13H,1-2H3,(H2,12,14)(H,15,16)
InChIKeyAWJCZNOSFMUDFP-UHFFFAOYSA-N
XLogP0.31
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-carbamoyl-2-methoxyphenyl)sulfamoyl]propanoic acid
CID 61455369
4-(chloromethylsulfonylamino)-3-methylbenzamide
CID 63666829
2-[(2-bromo-4-ethoxycarbonylphenyl)sulfamoyl]propanoic acid
CID 61455033
3-methyl-4-(1H-pyrazol-5-ylsulfonylamino)benzamide
CID 102692470
methyl 2-[(4-amino-2-methylphenyl)sulfamoyl]propanoate
CID 54951259
2-[(2-methyl-5-methylsulfonylphenyl)sulfamoyl]propanoic acid
CID 61454449
2-[(2-aminophenyl)sulfamoyl]propanoic acid
CID 61457996
3-methyl-4-(4-methylpentan-2-ylamino)benzamide
CID 43706917
methyl 4-[(4-carbamoyl-2-methylphenyl)sulfamoyl]butanoate
CID 61460295
2-[(4-carbamoyl-3-chlorophenyl)sulfamoyl]propanoic acid
CID 61454806
2-[(2-bromo-5-chloro-4-methylphenyl)sulfamoyl]propanoic acid
CID 113445366
4-(2,2-dimethylpropylamino)-3-methylbenzamide
CID 61324735

Frequently Asked Questions

What is the IUPAC name of 2-[(4-carbamoyl-2-methylphenyl)sulfamoyl]propanoic acid?
The IUPAC name of 2-[(4-carbamoyl-2-methylphenyl)sulfamoyl]propanoic acid (CID 61454869) is 2-[(4-carbamoyl-2-methylphenyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 2-[(4-carbamoyl-2-methylphenyl)sulfamoyl]propanoic acid?
The canonical SMILES for 2-[(4-carbamoyl-2-methylphenyl)sulfamoyl]propanoic acid is Cc1cc(C(N)=O)ccc1NS(=O)(=O)C(C)C(=O)O.
What is the InChIKey of 2-[(4-carbamoyl-2-methylphenyl)sulfamoyl]propanoic acid?
The InChIKey is AWJCZNOSFMUDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S/c1-6-5-8(10(12)14)3-4-9(6)13-19(17,18)7(2)11(15)16/h3-5,7,13H,1-2H3,(H2,12,14)(H,15,16).
What are the key properties of 2-[(4-carbamoyl-2-methylphenyl)sulfamoyl]propanoic acid?
2-[(4-carbamoyl-2-methylphenyl)sulfamoyl]propanoic acid has a molecular weight of 286.31 g/mol, XLogP of 0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-carbamoyl-2-methylphenyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 61454869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).