3-(furan-2-ylsulfonylamino)-3-(4-methoxyphenyl)propanoic acid

C14H15NO6S — CID 154839721

IUPAC3-(furan-2-ylsulfonylamino)-3-(4-methoxyphenyl)propanoic acid
SMILESCOc1ccc(C(CC(=O)O)NS(=O)(=O)c2ccco2)cc1
InChIInChI=1S/C14H15NO6S/c1-20-11-6-4-10(5-7-11)12(9-13(16)17)15-22(18,19)14-3-2-8-21-14/h2-8,12,15H,9H2,1H3,(H,16,17)
InChIKeyPDMAFPJOPLCDOY-UHFFFAOYSA-N
MW325.34 g/mol
LogP1.78
Rot. Bonds7

About 3-(furan-2-ylsulfonylamino)-3-(4-methoxyphenyl)propanoic acid

3-(furan-2-ylsulfonylamino)-3-(4-methoxyphenyl)propanoic acid (PubChem CID 154839721) has the molecular formula C14H15NO6S and a molecular weight of 325.34 g/mol. Its IUPAC name is 3-(furan-2-ylsulfonylamino)-3-(4-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(furan-2-ylsulfonylamino)-3-(4-methoxyphenyl)propanoic acid
PubChem CID154839721
Molecular FormulaC14H15NO6S
Molecular Weight325.34 g/mol
Exact Mass325.06
IUPAC Name3-(furan-2-ylsulfonylamino)-3-(4-methoxyphenyl)propanoic acid
SMILESCOc1ccc(C(CC(=O)O)NS(=O)(=O)c2ccco2)cc1
InChIInChI=1S/C14H15NO6S/c1-20-11-6-4-10(5-7-11)12(9-13(16)17)15-22(18,19)14-3-2-8-21-14/h2-8,12,15H,9H2,1H3,(H,16,17)
InChIKeyPDMAFPJOPLCDOY-UHFFFAOYSA-N
XLogP1.78
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(methanesulfonamido)-3-(4-methoxyphenyl)propanoic acid
CID 112509655
(3S)-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 674533
N-(furan-2-ylmethyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 133255406
3-(benzenesulfonamido)-3-(4-ethoxyphenyl)propanoic acid
CID 3674305
3-(4-methoxyphenyl)-3-[(4-methylsulfonylbenzoyl)amino]propanoic acid
CID 45436828
3-(1-benzofuran-2-ylsulfonylamino)-3-phenylpropanoic acid
CID 154782457
3-(benzenesulfonamido)-3-(4-propan-2-ylphenyl)propanoic acid
CID 5188493
(3R)-3-[(4-tert-butylbenzoyl)amino]-3-(4-methoxyphenyl)propanoic acid
CID 1271474
3-(4-chlorophenyl)-3-[(4-methoxybenzoyl)amino]propanoic acid
CID 2947012
3-(4-methoxyphenyl)-3-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)propanamide
CID 3618581
3-(4-methoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoic acid
CID 3369154
3-(4-methoxyphenyl)-3-(3-phenylpropanoylamino)propanoic acid
CID 45436465

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylsulfonylamino)-3-(4-methoxyphenyl)propanoic acid?
The IUPAC name of 3-(furan-2-ylsulfonylamino)-3-(4-methoxyphenyl)propanoic acid (CID 154839721) is 3-(furan-2-ylsulfonylamino)-3-(4-methoxyphenyl)propanoic acid.
What is the SMILES notation for 3-(furan-2-ylsulfonylamino)-3-(4-methoxyphenyl)propanoic acid?
The canonical SMILES for 3-(furan-2-ylsulfonylamino)-3-(4-methoxyphenyl)propanoic acid is COc1ccc(C(CC(=O)O)NS(=O)(=O)c2ccco2)cc1.
What is the InChIKey of 3-(furan-2-ylsulfonylamino)-3-(4-methoxyphenyl)propanoic acid?
The InChIKey is PDMAFPJOPLCDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO6S/c1-20-11-6-4-10(5-7-11)12(9-13(16)17)15-22(18,19)14-3-2-8-21-14/h2-8,12,15H,9H2,1H3,(H,16,17).
What are the key properties of 3-(furan-2-ylsulfonylamino)-3-(4-methoxyphenyl)propanoic acid?
3-(furan-2-ylsulfonylamino)-3-(4-methoxyphenyl)propanoic acid has a molecular weight of 325.34 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylsulfonylamino)-3-(4-methoxyphenyl)propanoic acid is sourced from PubChem (CID 154839721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).