3-[4-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]phenyl]propanoic acid

C18H20N2O5S — CID 24580865

IUPAC3-[4-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]phenyl]propanoic acid
SMILESCN(C)C(=O)c1ccc(NS(=O)(=O)c2ccc(CCC(=O)O)cc2)cc1
InChIInChI=1S/C18H20N2O5S/c1-20(2)18(23)14-6-8-15(9-7-14)19-26(24,25)16-10-3-13(4-11-16)5-12-17(21)22/h3-4,6-11,19H,5,12H2,1-2H3,(H,21,22)
InChIKeyRSCLZAKYBPCJRT-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.21
Rot. Bonds7

About 3-[4-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]phenyl]propanoic acid

3-[4-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]phenyl]propanoic acid (PubChem CID 24580865) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is 3-[4-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]phenyl]propanoic acid
PubChem CID24580865
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Name3-[4-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]phenyl]propanoic acid
SMILESCN(C)C(=O)c1ccc(NS(=O)(=O)c2ccc(CCC(=O)O)cc2)cc1
InChIInChI=1S/C18H20N2O5S/c1-20(2)18(23)14-6-8-15(9-7-14)19-26(24,25)16-10-3-13(4-11-16)5-12-17(21)22/h3-4,6-11,19H,5,12H2,1-2H3,(H,21,22)
InChIKeyRSCLZAKYBPCJRT-UHFFFAOYSA-N
XLogP2.21
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoic acid
CID 24580861
3-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]propanoic acid
CID 17341594
3-[4-[(4-methylsulfanylphenyl)sulfamoyl]phenyl]propanoic acid
CID 8860708
4-[(4-chlorophenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 7971137
3-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]propanoic acid
CID 9234830
4-[2-[4-[(4-methylphenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68689392
N,N-dimethyl-4-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]benzamide
CID 24580834
3-[4-(naphthalen-2-ylsulfamoyl)phenyl]propanoic acid
CID 9234966
N-[4-(3-oxobutyl)phenyl]benzenesulfonamide
CID 67020204
4-[(4-methylphenyl)sulfamoyl]-N,N-bis(2-phenylethyl)benzamide
CID 2343621
3-[4-[(4-morpholin-4-ylphenyl)sulfamoyl]phenyl]propanoic acid
CID 8003799
4-[(3,5-difluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24580816

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]phenyl]propanoic acid?
The IUPAC name of 3-[4-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]phenyl]propanoic acid (CID 24580865) is 3-[4-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]phenyl]propanoic acid is CN(C)C(=O)c1ccc(NS(=O)(=O)c2ccc(CCC(=O)O)cc2)cc1.
What is the InChIKey of 3-[4-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]phenyl]propanoic acid?
The InChIKey is RSCLZAKYBPCJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-20(2)18(23)14-6-8-15(9-7-14)19-26(24,25)16-10-3-13(4-11-16)5-12-17(21)22/h3-4,6-11,19H,5,12H2,1-2H3,(H,21,22).
What are the key properties of 3-[4-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]phenyl]propanoic acid?
3-[4-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]phenyl]propanoic acid has a molecular weight of 376.43 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]phenyl]propanoic acid is sourced from PubChem (CID 24580865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).