2-(N-(4-acetamidophenyl)sulfonylanilino)propanoic acid

C17H18N2O5S — CID 50889074

IUPAC2-(N-(4-acetamidophenyl)sulfonylanilino)propanoic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(c2ccccc2)C(C)C(=O)O)cc1
InChIInChI=1S/C17H18N2O5S/c1-12(17(21)22)19(15-6-4-3-5-7-15)25(23,24)16-10-8-14(9-11-16)18-13(2)20/h3-12H,1-2H3,(H,18,20)(H,21,22)
InChIKeyYEEOPWPLFLKYPJ-UHFFFAOYSA-N
MW362.41 g/mol
LogP2.31
Rot. Bonds6

About 2-(N-(4-acetamidophenyl)sulfonylanilino)propanoic acid

2-(N-(4-acetamidophenyl)sulfonylanilino)propanoic acid (PubChem CID 50889074) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-(N-(4-acetamidophenyl)sulfonylanilino)propanoic acid.

Molecular Properties

Compound Name2-(N-(4-acetamidophenyl)sulfonylanilino)propanoic acid
PubChem CID50889074
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Name2-(N-(4-acetamidophenyl)sulfonylanilino)propanoic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(c2ccccc2)C(C)C(=O)O)cc1
InChIInChI=1S/C17H18N2O5S/c1-12(17(21)22)19(15-6-4-3-5-7-15)25(23,24)16-10-8-14(9-11-16)18-13(2)20/h3-12H,1-2H3,(H,18,20)(H,21,22)
InChIKeyYEEOPWPLFLKYPJ-UHFFFAOYSA-N
XLogP2.31
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-(4-bromophenyl)sulfonylanilino)propanoic acid
CID 50889552
N-[4-(diphenylsulfamoyl)phenyl]acetamide
CID 4296300
N-[4-[phenyl(1-pyridin-2-ylethyl)sulfamoyl]phenyl]acetamide
CID 3712981
2-(N-(4-acetamidophenyl)sulfonyl-4-methylanilino)propanoyl chloride
CID 50889175
2-(N-(4-acetamidophenyl)sulfonyl-4-propan-2-ylanilino)propanoyl chloride
CID 50889358
2-(N-(4-acetamidophenyl)sulfonyl-2-chloroanilino)propanoyl chloride
CID 50889097
(2S)-2-(N-sulfoanilino)propanoic acid
CID 69100244
2-(N-(4-acetamidophenyl)sulfonylanilino)acetyl chloride
CID 50889182
2-(N-(4-bromophenyl)sulfonylanilino)propanoyl chloride
CID 50889560
4-methyl-N-[(2R)-1-oxo-1-phenylpropan-2-yl]-N-phenylbenzenesulfonamide
CID 92534233
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)propanoic acid
CID 50891983
2-(4-chloro-N-(4-fluorophenyl)sulfonylanilino)propanoic acid
CID 50890267

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-acetamidophenyl)sulfonylanilino)propanoic acid?
The IUPAC name of 2-(N-(4-acetamidophenyl)sulfonylanilino)propanoic acid (CID 50889074) is 2-(N-(4-acetamidophenyl)sulfonylanilino)propanoic acid.
What is the SMILES notation for 2-(N-(4-acetamidophenyl)sulfonylanilino)propanoic acid?
The canonical SMILES for 2-(N-(4-acetamidophenyl)sulfonylanilino)propanoic acid is CC(=O)Nc1ccc(S(=O)(=O)N(c2ccccc2)C(C)C(=O)O)cc1.
What is the InChIKey of 2-(N-(4-acetamidophenyl)sulfonylanilino)propanoic acid?
The InChIKey is YEEOPWPLFLKYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-12(17(21)22)19(15-6-4-3-5-7-15)25(23,24)16-10-8-14(9-11-16)18-13(2)20/h3-12H,1-2H3,(H,18,20)(H,21,22).
What are the key properties of 2-(N-(4-acetamidophenyl)sulfonylanilino)propanoic acid?
2-(N-(4-acetamidophenyl)sulfonylanilino)propanoic acid has a molecular weight of 362.41 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-acetamidophenyl)sulfonylanilino)propanoic acid is sourced from PubChem (CID 50889074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).