(E)-N-methyl-3-methylsulfanyl-N-[(E)-2-phenylethenyl]prop-2-enamide

C13H15NOS — CID 10889824

IUPAC(E)-N-methyl-3-methylsulfanyl-N-[(E)-2-phenylethenyl]prop-2-enamide
SMILESCS/C=C/C(=O)N(C)/C=C/c1ccccc1
InChIInChI=1S/C13H15NOS/c1-14(13(15)9-11-16-2)10-8-12-6-4-3-5-7-12/h3-11H,1-2H3/b10-8+,11-9+
InChIKeyNSAAZPOVMULKTO-GFULKKFKSA-N
MW233.34 g/mol
LogP2.99
Rot. Bonds4

About (E)-N-methyl-3-methylsulfanyl-N-[(E)-2-phenylethenyl]prop-2-enamide

(E)-N-methyl-3-methylsulfanyl-N-[(E)-2-phenylethenyl]prop-2-enamide (PubChem CID 10889824) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is (E)-N-methyl-3-methylsulfanyl-N-[(E)-2-phenylethenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-3-methylsulfanyl-N-[(E)-2-phenylethenyl]prop-2-enamide
PubChem CID10889824
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name(E)-N-methyl-3-methylsulfanyl-N-[(E)-2-phenylethenyl]prop-2-enamide
SMILESCS/C=C/C(=O)N(C)/C=C/c1ccccc1
InChIInChI=1S/C13H15NOS/c1-14(13(15)9-11-16-2)10-8-12-6-4-3-5-7-12/h3-11H,1-2H3/b10-8+,11-9+
InChIKeyNSAAZPOVMULKTO-GFULKKFKSA-N
XLogP2.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-methyl-3-methylsulfanyl-N-[(E)-2-phenylethenyl]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

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-3-methylsulfanyl-N-[(E)-2-phenylethenyl]prop-2-enamide?
The IUPAC name of (E)-N-methyl-3-methylsulfanyl-N-[(E)-2-phenylethenyl]prop-2-enamide (CID 10889824) is (E)-N-methyl-3-methylsulfanyl-N-[(E)-2-phenylethenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-methyl-3-methylsulfanyl-N-[(E)-2-phenylethenyl]prop-2-enamide?
The canonical SMILES for (E)-N-methyl-3-methylsulfanyl-N-[(E)-2-phenylethenyl]prop-2-enamide is CS/C=C/C(=O)N(C)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-methyl-3-methylsulfanyl-N-[(E)-2-phenylethenyl]prop-2-enamide?
The InChIKey is NSAAZPOVMULKTO-GFULKKFKSA-N. The full InChI is InChI=1S/C13H15NOS/c1-14(13(15)9-11-16-2)10-8-12-6-4-3-5-7-12/h3-11H,1-2H3/b10-8+,11-9+.
What are the key properties of (E)-N-methyl-3-methylsulfanyl-N-[(E)-2-phenylethenyl]prop-2-enamide?
(E)-N-methyl-3-methylsulfanyl-N-[(E)-2-phenylethenyl]prop-2-enamide has a molecular weight of 233.34 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-3-methylsulfanyl-N-[(E)-2-phenylethenyl]prop-2-enamide is sourced from PubChem (CID 10889824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).