2-[[4-[2-(methylamino)-2-oxoethyl]phenyl]sulfamoyl]propanoic acid

C12H16N2O5S — CID 61455083

IUPAC2-[[4-[2-(methylamino)-2-oxoethyl]phenyl]sulfamoyl]propanoic acid
SMILESCNC(=O)Cc1ccc(NS(=O)(=O)C(C)C(=O)O)cc1
InChIInChI=1S/C12H16N2O5S/c1-8(12(16)17)20(18,19)14-10-5-3-9(4-6-10)7-11(15)13-2/h3-6,8,14H,7H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyRWVGYSJPMROCRS-UHFFFAOYSA-N
MW300.34 g/mol
LogP0.19
Rot. Bonds6

About 2-[[4-[2-(methylamino)-2-oxoethyl]phenyl]sulfamoyl]propanoic acid

2-[[4-[2-(methylamino)-2-oxoethyl]phenyl]sulfamoyl]propanoic acid (PubChem CID 61455083) has the molecular formula C12H16N2O5S and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-[[4-[2-(methylamino)-2-oxoethyl]phenyl]sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[[4-[2-(methylamino)-2-oxoethyl]phenyl]sulfamoyl]propanoic acid
PubChem CID61455083
Molecular FormulaC12H16N2O5S
Molecular Weight300.34 g/mol
Exact Mass300.08
IUPAC Name2-[[4-[2-(methylamino)-2-oxoethyl]phenyl]sulfamoyl]propanoic acid
SMILESCNC(=O)Cc1ccc(NS(=O)(=O)C(C)C(=O)O)cc1
InChIInChI=1S/C12H16N2O5S/c1-8(12(16)17)20(18,19)14-10-5-3-9(4-6-10)7-11(15)13-2/h3-6,8,14H,7H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyRWVGYSJPMROCRS-UHFFFAOYSA-N
XLogP0.19
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-propylphenyl)sulfamoyl]propanoic acid
CID 54947538
2-[[4-(methoxymethyl)phenyl]sulfamoyl]propanoic acid
CID 114253050
2-(pyridin-4-ylsulfamoyl)propanoic acid
CID 61454432
2-[(4-pyrrolidin-1-ylphenyl)sulfamoyl]propanoic acid
CID 61455047
2-[(4-propoxycarbonylphenyl)sulfamoyl]propanoic acid
CID 61454647
4-[2-(methylamino)-2-oxoethyl]benzoic acid
CID 139022603
N-methyl-2-[4-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]phenyl]acetamide
CID 87026713
N-methyl-2-(4-sulfamoylphenyl)acetamide
CID 43363710
2-(4-ethylphenyl)-N-methylacetamide
CID 56921087
2-[(4-carbamoyl-3-chlorophenyl)sulfamoyl]propanoic acid
CID 61454806
2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfamoyl]propanoic acid
CID 61457742
N-methyl-2-[4-[(3-propan-2-ylcyclobutyl)amino]phenyl]acetamide
CID 103561305

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(methylamino)-2-oxoethyl]phenyl]sulfamoyl]propanoic acid?
The IUPAC name of 2-[[4-[2-(methylamino)-2-oxoethyl]phenyl]sulfamoyl]propanoic acid (CID 61455083) is 2-[[4-[2-(methylamino)-2-oxoethyl]phenyl]sulfamoyl]propanoic acid.
What is the SMILES notation for 2-[[4-[2-(methylamino)-2-oxoethyl]phenyl]sulfamoyl]propanoic acid?
The canonical SMILES for 2-[[4-[2-(methylamino)-2-oxoethyl]phenyl]sulfamoyl]propanoic acid is CNC(=O)Cc1ccc(NS(=O)(=O)C(C)C(=O)O)cc1.
What is the InChIKey of 2-[[4-[2-(methylamino)-2-oxoethyl]phenyl]sulfamoyl]propanoic acid?
The InChIKey is RWVGYSJPMROCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5S/c1-8(12(16)17)20(18,19)14-10-5-3-9(4-6-10)7-11(15)13-2/h3-6,8,14H,7H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 2-[[4-[2-(methylamino)-2-oxoethyl]phenyl]sulfamoyl]propanoic acid?
2-[[4-[2-(methylamino)-2-oxoethyl]phenyl]sulfamoyl]propanoic acid has a molecular weight of 300.34 g/mol, XLogP of 0.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(methylamino)-2-oxoethyl]phenyl]sulfamoyl]propanoic acid is sourced from PubChem (CID 61455083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).