5-cyclohexyl-4-[(5-methylsulfanylfuran-2-carbonyl)amino]pentanoic acid

C17H25NO4S — CID 122056780

IUPAC5-cyclohexyl-4-[(5-methylsulfanylfuran-2-carbonyl)amino]pentanoic acid
SMILESCSc1ccc(C(=O)NC(CCC(=O)O)CC2CCCCC2)o1
InChIInChI=1S/C17H25NO4S/c1-23-16-10-8-14(22-16)17(21)18-13(7-9-15(19)20)11-12-5-3-2-4-6-12/h8,10,12-13H,2-7,9,11H2,1H3,(H,18,21)(H,19,20)
InChIKeyJUJGEZAIFXWDEQ-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.94
Rot. Bonds8

About 5-cyclohexyl-4-[(5-methylsulfanylfuran-2-carbonyl)amino]pentanoic acid

5-cyclohexyl-4-[(5-methylsulfanylfuran-2-carbonyl)amino]pentanoic acid (PubChem CID 122056780) has the molecular formula C17H25NO4S and a molecular weight of 339.46 g/mol. Its IUPAC name is 5-cyclohexyl-4-[(5-methylsulfanylfuran-2-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-cyclohexyl-4-[(5-methylsulfanylfuran-2-carbonyl)amino]pentanoic acid
PubChem CID122056780
Molecular FormulaC17H25NO4S
Molecular Weight339.46 g/mol
Exact Mass339.15
IUPAC Name5-cyclohexyl-4-[(5-methylsulfanylfuran-2-carbonyl)amino]pentanoic acid
SMILESCSc1ccc(C(=O)NC(CCC(=O)O)CC2CCCCC2)o1
InChIInChI=1S/C17H25NO4S/c1-23-16-10-8-14(22-16)17(21)18-13(7-9-15(19)20)11-12-5-3-2-4-6-12/h8,10,12-13H,2-7,9,11H2,1H3,(H,18,21)(H,19,20)
InChIKeyJUJGEZAIFXWDEQ-UHFFFAOYSA-N
XLogP3.94
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-carbamoylbenzoyl)amino]-5-cyclohexylpentanoic acid
CID 122056610
5-cyclohexyl-4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]pentanoic acid
CID 122056584
5-cyclohexyl-4-[(6-methylpyridine-3-carbonyl)amino]pentanoic acid
CID 122056442
5-cyclohexyl-4-[[3-(dimethylcarbamoyl)benzoyl]amino]pentanoic acid
CID 122056899
N-(2-cyclopentyl-2-hydroxyethyl)-5-methylsulfanylfuran-2-carboxamide
CID 111425891
5-cyclohexyl-4-(pentanoylamino)pentanoic acid
CID 122056434
5-cyclohexyl-4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic acid
CID 122056821
5-cyclohexyl-4-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]pentanoic acid
CID 122056451
5-cyclohexyl-4-[[2-(1,2-oxazol-3-yl)acetyl]amino]pentanoic acid
CID 122056791
5-cyclohexyl-4-(2-methylsulfonylpropanoylamino)pentanoic acid
CID 122056687
5-cyclohexyl-4-(2-ethoxypropanoylamino)pentanoic acid
CID 122056700
5-cyclohexyl-4-(oxolane-2-carbonylamino)pentanoic acid
CID 122056439

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-4-[(5-methylsulfanylfuran-2-carbonyl)amino]pentanoic acid?
The IUPAC name of 5-cyclohexyl-4-[(5-methylsulfanylfuran-2-carbonyl)amino]pentanoic acid (CID 122056780) is 5-cyclohexyl-4-[(5-methylsulfanylfuran-2-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 5-cyclohexyl-4-[(5-methylsulfanylfuran-2-carbonyl)amino]pentanoic acid?
The canonical SMILES for 5-cyclohexyl-4-[(5-methylsulfanylfuran-2-carbonyl)amino]pentanoic acid is CSc1ccc(C(=O)NC(CCC(=O)O)CC2CCCCC2)o1.
What is the InChIKey of 5-cyclohexyl-4-[(5-methylsulfanylfuran-2-carbonyl)amino]pentanoic acid?
The InChIKey is JUJGEZAIFXWDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4S/c1-23-16-10-8-14(22-16)17(21)18-13(7-9-15(19)20)11-12-5-3-2-4-6-12/h8,10,12-13H,2-7,9,11H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 5-cyclohexyl-4-[(5-methylsulfanylfuran-2-carbonyl)amino]pentanoic acid?
5-cyclohexyl-4-[(5-methylsulfanylfuran-2-carbonyl)amino]pentanoic acid has a molecular weight of 339.46 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-4-[(5-methylsulfanylfuran-2-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 122056780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).