3-(2-ethylphenyl)-3-[(4-methylfuran-2-yl)sulfonylamino]propanoic acid

C16H19NO5S — CID 166266237

IUPAC3-(2-ethylphenyl)-3-[(4-methylfuran-2-yl)sulfonylamino]propanoic acid
SMILESCCc1ccccc1C(CC(=O)O)NS(=O)(=O)c1cc(C)co1
InChIInChI=1S/C16H19NO5S/c1-3-12-6-4-5-7-13(12)14(9-15(18)19)17-23(20,21)16-8-11(2)10-22-16/h4-8,10,14,17H,3,9H2,1-2H3,(H,18,19)
InChIKeyKOZXMWXNYMOCCW-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.64
Rot. Bonds7

About 3-(2-ethylphenyl)-3-[(4-methylfuran-2-yl)sulfonylamino]propanoic acid

3-(2-ethylphenyl)-3-[(4-methylfuran-2-yl)sulfonylamino]propanoic acid (PubChem CID 166266237) has the molecular formula C16H19NO5S and a molecular weight of 337.40 g/mol. Its IUPAC name is 3-(2-ethylphenyl)-3-[(4-methylfuran-2-yl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name3-(2-ethylphenyl)-3-[(4-methylfuran-2-yl)sulfonylamino]propanoic acid
PubChem CID166266237
Molecular FormulaC16H19NO5S
Molecular Weight337.40 g/mol
Exact Mass337.10
IUPAC Name3-(2-ethylphenyl)-3-[(4-methylfuran-2-yl)sulfonylamino]propanoic acid
SMILESCCc1ccccc1C(CC(=O)O)NS(=O)(=O)c1cc(C)co1
InChIInChI=1S/C16H19NO5S/c1-3-12-6-4-5-7-13(12)14(9-15(18)19)17-23(20,21)16-8-11(2)10-22-16/h4-8,10,14,17H,3,9H2,1-2H3,(H,18,19)
InChIKeyKOZXMWXNYMOCCW-UHFFFAOYSA-N
XLogP2.64
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2H-benzotriazol-5-ylsulfonylamino)-3-(2-ethylphenyl)propanoic acid
CID 167986474
3-(1-benzofuran-2-ylsulfonylamino)-3-phenylpropanoic acid
CID 154782457
(3R)-3-[(2-methylphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 726567
3-(furan-2-ylsulfonylamino)-3-(4-methoxyphenyl)propanoic acid
CID 154839721
N-[1-(2-ethylphenyl)-4-(2-fluorophenyl)-3-oxobutyl]methanesulfonamide
CID 158097545
3-(benzenesulfonamido)-3-(4-ethoxyphenyl)propanoic acid
CID 3674305
3-(benzenesulfonamido)-3-(4-propan-2-ylphenyl)propanoic acid
CID 5188493
4-(2-ethylphenyl)-4-hydroxy-3-methylbutanoic acid
CID 62390532
(3S)-3-(2-chlorophenyl)-3-(naphthalen-2-ylsulfonylamino)propanoic acid
CID 2431733
3-(methylsulfonylmethylsulfonylamino)-3-phenylpropanoic acid
CID 82839464
(3S)-3-[(3,5-dichlorophenyl)sulfonylamino]-3-(4-methylphenyl)propanoic acid
CID 9267903
5-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]sulfamoyl]furan-3-carboxylic acid
CID 154743279

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylphenyl)-3-[(4-methylfuran-2-yl)sulfonylamino]propanoic acid?
The IUPAC name of 3-(2-ethylphenyl)-3-[(4-methylfuran-2-yl)sulfonylamino]propanoic acid (CID 166266237) is 3-(2-ethylphenyl)-3-[(4-methylfuran-2-yl)sulfonylamino]propanoic acid.
What is the SMILES notation for 3-(2-ethylphenyl)-3-[(4-methylfuran-2-yl)sulfonylamino]propanoic acid?
The canonical SMILES for 3-(2-ethylphenyl)-3-[(4-methylfuran-2-yl)sulfonylamino]propanoic acid is CCc1ccccc1C(CC(=O)O)NS(=O)(=O)c1cc(C)co1.
What is the InChIKey of 3-(2-ethylphenyl)-3-[(4-methylfuran-2-yl)sulfonylamino]propanoic acid?
The InChIKey is KOZXMWXNYMOCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5S/c1-3-12-6-4-5-7-13(12)14(9-15(18)19)17-23(20,21)16-8-11(2)10-22-16/h4-8,10,14,17H,3,9H2,1-2H3,(H,18,19).
What are the key properties of 3-(2-ethylphenyl)-3-[(4-methylfuran-2-yl)sulfonylamino]propanoic acid?
3-(2-ethylphenyl)-3-[(4-methylfuran-2-yl)sulfonylamino]propanoic acid has a molecular weight of 337.40 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylphenyl)-3-[(4-methylfuran-2-yl)sulfonylamino]propanoic acid is sourced from PubChem (CID 166266237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).