4-(furan-3-ylsulfonylamino)-5-phenylpentanoic acid

C15H17NO5S — CID 120968808

IUPAC4-(furan-3-ylsulfonylamino)-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NS(=O)(=O)c1ccoc1
InChIInChI=1S/C15H17NO5S/c17-15(18)7-6-13(10-12-4-2-1-3-5-12)16-22(19,20)14-8-9-21-11-14/h1-5,8-9,11,13,16H,6-7,10H2,(H,17,18)
InChIKeyTVQGVABDXCTUTJ-UHFFFAOYSA-N
MW323.37 g/mol
LogP2.03
Rot. Bonds8

About 4-(furan-3-ylsulfonylamino)-5-phenylpentanoic acid

4-(furan-3-ylsulfonylamino)-5-phenylpentanoic acid (PubChem CID 120968808) has the molecular formula C15H17NO5S and a molecular weight of 323.37 g/mol. Its IUPAC name is 4-(furan-3-ylsulfonylamino)-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-(furan-3-ylsulfonylamino)-5-phenylpentanoic acid
PubChem CID120968808
Molecular FormulaC15H17NO5S
Molecular Weight323.37 g/mol
Exact Mass323.08
IUPAC Name4-(furan-3-ylsulfonylamino)-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NS(=O)(=O)c1ccoc1
InChIInChI=1S/C15H17NO5S/c17-15(18)7-6-13(10-12-4-2-1-3-5-12)16-22(19,20)14-8-9-21-11-14/h1-5,8-9,11,13,16H,6-7,10H2,(H,17,18)
InChIKeyTVQGVABDXCTUTJ-UHFFFAOYSA-N
XLogP2.03
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-(dimethylamino)phenyl]sulfonylamino]-5-phenylpentanoic acid
CID 120605787
4-[(3-ethoxyphenyl)sulfonylamino]-5-phenylpentanoic acid
CID 120728791
4-(1,3-benzodioxol-4-ylsulfonylamino)-5-phenylpentanoic acid
CID 120782389
(4R)-5-phenyl-4-(propan-2-ylamino)pentanoic acid
CID 155468055
5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
4-(furan-3-ylsulfonylamino)-4-methylpentanoic acid
CID 122068780
2-(furan-3-ylsulfonylamino)hexanoic acid
CID 120968679
4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122028316
4-methyl-N-[(2S)-1-phenylpentan-2-yl]benzenesulfonamide
CID 45102181
4-[(2-methylsulfanylacetyl)amino]-5-phenylpentanoic acid
CID 120546684
4-[[1-cyanopropan-2-yl(methyl)sulfamoyl]amino]-5-phenylpentanoic acid
CID 122070983

Frequently Asked Questions

What is the IUPAC name of 4-(furan-3-ylsulfonylamino)-5-phenylpentanoic acid?
The IUPAC name of 4-(furan-3-ylsulfonylamino)-5-phenylpentanoic acid (CID 120968808) is 4-(furan-3-ylsulfonylamino)-5-phenylpentanoic acid.
What is the SMILES notation for 4-(furan-3-ylsulfonylamino)-5-phenylpentanoic acid?
The canonical SMILES for 4-(furan-3-ylsulfonylamino)-5-phenylpentanoic acid is O=C(O)CCC(Cc1ccccc1)NS(=O)(=O)c1ccoc1.
What is the InChIKey of 4-(furan-3-ylsulfonylamino)-5-phenylpentanoic acid?
The InChIKey is TVQGVABDXCTUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5S/c17-15(18)7-6-13(10-12-4-2-1-3-5-12)16-22(19,20)14-8-9-21-11-14/h1-5,8-9,11,13,16H,6-7,10H2,(H,17,18).
What are the key properties of 4-(furan-3-ylsulfonylamino)-5-phenylpentanoic acid?
4-(furan-3-ylsulfonylamino)-5-phenylpentanoic acid has a molecular weight of 323.37 g/mol, XLogP of 2.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-3-ylsulfonylamino)-5-phenylpentanoic acid is sourced from PubChem (CID 120968808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).