3-(furan-2-yl)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)prop-2-enamide

C13H19NO3S — CID 71960787

IUPAC3-(furan-2-yl)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)prop-2-enamide
SMILESCSCCC(C)(O)CNC(=O)C=Cc1ccco1
InChIInChI=1S/C13H19NO3S/c1-13(16,7-9-18-2)10-14-12(15)6-5-11-4-3-8-17-11/h3-6,8,16H,7,9-10H2,1-2H3,(H,14,15)
InChIKeyXWTIDJQAXCBNGL-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.91
Rot. Bonds7

About 3-(furan-2-yl)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)prop-2-enamide

3-(furan-2-yl)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)prop-2-enamide (PubChem CID 71960787) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)prop-2-enamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)prop-2-enamide
PubChem CID71960787
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name3-(furan-2-yl)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)prop-2-enamide
SMILESCSCCC(C)(O)CNC(=O)C=Cc1ccco1
InChIInChI=1S/C13H19NO3S/c1-13(16,7-9-18-2)10-14-12(15)6-5-11-4-3-8-17-11/h3-6,8,16H,7,9-10H2,1-2H3,(H,14,15)
InChIKeyXWTIDJQAXCBNGL-UHFFFAOYSA-N
XLogP1.91
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(furan-2-yl)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopentyl-2-(furan-2-ylmethylsulfanyl)acetamide
CID 2375381
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 4827667
1-(4-(((Furan-2-ylmethyl)thio)methyl)piperidin-1-yl)ethanone
CID 71801052
N-cyclopropyl-2-(furan-2-ylmethylsulfanyl)acetamide
CID 2381153
N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclobutanecarboxamide
CID 2823324
N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopropanecarboxamide
CID 2823367
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
CID 2823406
3-(furan-2-yl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide
CID 71960878
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 18113868
N-[3-(2-methylfuran-3-yl)sulfanylpropyl]acetamide
CID 86816617
3-(furan-2-yl)-N-(4-hydroxy-5-methylhexan-3-yl)-2-methylprop-2-enamide
CID 126819912
N-(furan-2-ylmethyl)-2-methylsulfanylacetamide
CID 23594794

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)prop-2-enamide?
The IUPAC name of 3-(furan-2-yl)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)prop-2-enamide (CID 71960787) is 3-(furan-2-yl)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)prop-2-enamide.
What is the SMILES notation for 3-(furan-2-yl)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)prop-2-enamide?
The canonical SMILES for 3-(furan-2-yl)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)prop-2-enamide is CSCCC(C)(O)CNC(=O)C=Cc1ccco1.
What is the InChIKey of 3-(furan-2-yl)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)prop-2-enamide?
The InChIKey is XWTIDJQAXCBNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-13(16,7-9-18-2)10-14-12(15)6-5-11-4-3-8-17-11/h3-6,8,16H,7,9-10H2,1-2H3,(H,14,15).
What are the key properties of 3-(furan-2-yl)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)prop-2-enamide?
3-(furan-2-yl)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)prop-2-enamide has a molecular weight of 269.37 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)prop-2-enamide is sourced from PubChem (CID 71960787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).