(E)-3-(5-methylfuran-2-yl)-N-(3-methylsulfanylphenyl)prop-2-enamide

C15H15NO2S — CID 2665588

IUPAC(E)-3-(5-methylfuran-2-yl)-N-(3-methylsulfanylphenyl)prop-2-enamide
SMILESCSc1cccc(NC(=O)/C=C/c2ccc(C)o2)c1
InChIInChI=1S/C15H15NO2S/c1-11-6-7-13(18-11)8-9-15(17)16-12-4-3-5-14(10-12)19-2/h3-10H,1-2H3,(H,16,17)/b9-8+
InChIKeyPQVKXYVUJFRXCE-CMDGGOBGSA-N
MW273.36 g/mol
LogP3.96
Rot. Bonds4

About (E)-3-(5-methylfuran-2-yl)-N-(3-methylsulfanylphenyl)prop-2-enamide

(E)-3-(5-methylfuran-2-yl)-N-(3-methylsulfanylphenyl)prop-2-enamide (PubChem CID 2665588) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is (E)-3-(5-methylfuran-2-yl)-N-(3-methylsulfanylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-methylfuran-2-yl)-N-(3-methylsulfanylphenyl)prop-2-enamide
PubChem CID2665588
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name(E)-3-(5-methylfuran-2-yl)-N-(3-methylsulfanylphenyl)prop-2-enamide
SMILESCSc1cccc(NC(=O)/C=C/c2ccc(C)o2)c1
InChIInChI=1S/C15H15NO2S/c1-11-6-7-13(18-11)8-9-15(17)16-12-4-3-5-14(10-12)19-2/h3-10H,1-2H3,(H,16,17)/b9-8+
InChIKeyPQVKXYVUJFRXCE-CMDGGOBGSA-N
XLogP3.96
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-(5-methylfuran-2-yl)-N-(3-methylsulfanylphenyl)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

(E)-N-(3-hydroxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 78783838
(E)-3-(5-methylfuran-2-yl)-N-[3-(phenylcarbamoylamino)phenyl]prop-2-enamide
CID 24632271
3-(5-methylfuran-2-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 875057
(E)-3-(5-methylfuran-2-yl)-N-(3-methylsulfonylphenyl)prop-2-enamide
CID 27334787
(E)-3-(5-methylfuran-2-yl)-N-naphthalen-2-ylprop-2-enamide
CID 2146457
2-methoxyethyl N-[3-[3-(5-methylfuran-2-yl)prop-2-enoylamino]phenyl]carbamate
CID 76870592
N-(3-chloro-4-fluorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 896719
(E)-N-(3,5-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 923459
2-fluoro-4-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]benzoic acid
CID 103791438
(E)-3-(5-methylfuran-2-yl)-N-[2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]phenyl]prop-2-enamide
CID 1291262
(2E)-2-hydroxyimino-N-(3-methylsulfanylphenyl)acetamide
CID 10443095
N-(4-bromo-3-chlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 923476

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-methylfuran-2-yl)-N-(3-methylsulfanylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(5-methylfuran-2-yl)-N-(3-methylsulfanylphenyl)prop-2-enamide (CID 2665588) is (E)-3-(5-methylfuran-2-yl)-N-(3-methylsulfanylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(5-methylfuran-2-yl)-N-(3-methylsulfanylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(5-methylfuran-2-yl)-N-(3-methylsulfanylphenyl)prop-2-enamide is CSc1cccc(NC(=O)/C=C/c2ccc(C)o2)c1.
What is the InChIKey of (E)-3-(5-methylfuran-2-yl)-N-(3-methylsulfanylphenyl)prop-2-enamide?
The InChIKey is PQVKXYVUJFRXCE-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-11-6-7-13(18-11)8-9-15(17)16-12-4-3-5-14(10-12)19-2/h3-10H,1-2H3,(H,16,17)/b9-8+.
What are the key properties of (E)-3-(5-methylfuran-2-yl)-N-(3-methylsulfanylphenyl)prop-2-enamide?
(E)-3-(5-methylfuran-2-yl)-N-(3-methylsulfanylphenyl)prop-2-enamide has a molecular weight of 273.36 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-methylfuran-2-yl)-N-(3-methylsulfanylphenyl)prop-2-enamide is sourced from PubChem (CID 2665588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).