3-(2-anilino-2-oxoethyl)sulfonylpropanoic acid

C11H13NO5S — CID 24705214

IUPAC3-(2-anilino-2-oxoethyl)sulfonylpropanoic acid
SMILESO=C(O)CCS(=O)(=O)CC(=O)Nc1ccccc1
InChIInChI=1S/C11H13NO5S/c13-10(12-9-4-2-1-3-5-9)8-18(16,17)7-6-11(14)15/h1-5H,6-8H2,(H,12,13)(H,14,15)
InChIKeyVNXVIRDXTDSSFZ-UHFFFAOYSA-N
MW271.29 g/mol
LogP0.51
Rot. Bonds6

About 3-(2-anilino-2-oxoethyl)sulfonylpropanoic acid

3-(2-anilino-2-oxoethyl)sulfonylpropanoic acid (PubChem CID 24705214) has the molecular formula C11H13NO5S and a molecular weight of 271.29 g/mol. Its IUPAC name is 3-(2-anilino-2-oxoethyl)sulfonylpropanoic acid.

Molecular Properties

Compound Name3-(2-anilino-2-oxoethyl)sulfonylpropanoic acid
PubChem CID24705214
Molecular FormulaC11H13NO5S
Molecular Weight271.29 g/mol
Exact Mass271.05
IUPAC Name3-(2-anilino-2-oxoethyl)sulfonylpropanoic acid
SMILESO=C(O)CCS(=O)(=O)CC(=O)Nc1ccccc1
InChIInChI=1S/C11H13NO5S/c13-10(12-9-4-2-1-3-5-9)8-18(16,17)7-6-11(14)15/h1-5H,6-8H2,(H,12,13)(H,14,15)
InChIKeyVNXVIRDXTDSSFZ-UHFFFAOYSA-N
XLogP0.51
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-anilino-2-oxoethyl)-methylsulfamoyl]propanoic acid
CID 60950687
3-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid
CID 60987692
44-anilino-44-oxotetratetracontanoic acid
CID 152661091
11-anilino-11-oxoundecanoic acid
CID 150341840
4-(4-anilinoanilino)-4-oxobutanoic acid
CID 3582838
2-[2-(4-bromoanilino)-2-oxoethyl]sulfonylacetic acid
CID 24695260
2-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide
CID 39076171
3-fluoro-N-phenylpropanamide
CID 70366284
3-methyl-N-[4-[[2-(3-phenylpropylsulfonyl)acetyl]amino]phenyl]butanamide
CID 55687715
2-[4-[[2-(3-phenylpropylsulfonyl)acetyl]amino]phenyl]acetamide
CID 55687459
2-(3-phenylpropylsulfonyl)-N-(4-propan-2-ylphenyl)acetamide
CID 39716958
2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfonyl-N-phenylacetamide
CID 1180425

Frequently Asked Questions

What is the IUPAC name of 3-(2-anilino-2-oxoethyl)sulfonylpropanoic acid?
The IUPAC name of 3-(2-anilino-2-oxoethyl)sulfonylpropanoic acid (CID 24705214) is 3-(2-anilino-2-oxoethyl)sulfonylpropanoic acid.
What is the SMILES notation for 3-(2-anilino-2-oxoethyl)sulfonylpropanoic acid?
The canonical SMILES for 3-(2-anilino-2-oxoethyl)sulfonylpropanoic acid is O=C(O)CCS(=O)(=O)CC(=O)Nc1ccccc1.
What is the InChIKey of 3-(2-anilino-2-oxoethyl)sulfonylpropanoic acid?
The InChIKey is VNXVIRDXTDSSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5S/c13-10(12-9-4-2-1-3-5-9)8-18(16,17)7-6-11(14)15/h1-5H,6-8H2,(H,12,13)(H,14,15).
What are the key properties of 3-(2-anilino-2-oxoethyl)sulfonylpropanoic acid?
3-(2-anilino-2-oxoethyl)sulfonylpropanoic acid has a molecular weight of 271.29 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-anilino-2-oxoethyl)sulfonylpropanoic acid is sourced from PubChem (CID 24705214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).