2-methyl-N-[2-(2-methylphenyl)sulfanyl-1-phenylethenyl]prop-2-enamide

C19H19NOS — CID 175573802

IUPAC2-methyl-N-[2-(2-methylphenyl)sulfanyl-1-phenylethenyl]prop-2-enamide
SMILESC=C(C)C(=O)NC(=CSc1ccccc1C)c1ccccc1
InChIInChI=1S/C19H19NOS/c1-14(2)19(21)20-17(16-10-5-4-6-11-16)13-22-18-12-8-7-9-15(18)3/h4-13H,1H2,2-3H3,(H,20,21)
InChIKeyXILFIYIFWXYXKQ-UHFFFAOYSA-N
MW309.43 g/mol
LogP4.78
Rot. Bonds5

About 2-methyl-N-[2-(2-methylphenyl)sulfanyl-1-phenylethenyl]prop-2-enamide

2-methyl-N-[2-(2-methylphenyl)sulfanyl-1-phenylethenyl]prop-2-enamide (PubChem CID 175573802) has the molecular formula C19H19NOS and a molecular weight of 309.43 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-methylphenyl)sulfanyl-1-phenylethenyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[2-(2-methylphenyl)sulfanyl-1-phenylethenyl]prop-2-enamide
PubChem CID175573802
Molecular FormulaC19H19NOS
Molecular Weight309.43 g/mol
Exact Mass309.12
IUPAC Name2-methyl-N-[2-(2-methylphenyl)sulfanyl-1-phenylethenyl]prop-2-enamide
SMILESC=C(C)C(=O)NC(=CSc1ccccc1C)c1ccccc1
InChIInChI=1S/C19H19NOS/c1-14(2)19(21)20-17(16-10-5-4-6-11-16)13-22-18-12-8-7-9-15(18)3/h4-13H,1H2,2-3H3,(H,20,21)
InChIKeyXILFIYIFWXYXKQ-UHFFFAOYSA-N
XLogP4.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-methylphenyl)sulfanyl-1-phenylethenyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[2-(2-methylphenyl)sulfanyl-1-phenylethenyl]prop-2-enamide (CID 175573802) is 2-methyl-N-[2-(2-methylphenyl)sulfanyl-1-phenylethenyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[2-(2-methylphenyl)sulfanyl-1-phenylethenyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[2-(2-methylphenyl)sulfanyl-1-phenylethenyl]prop-2-enamide is C=C(C)C(=O)NC(=CSc1ccccc1C)c1ccccc1.
What is the InChIKey of 2-methyl-N-[2-(2-methylphenyl)sulfanyl-1-phenylethenyl]prop-2-enamide?
The InChIKey is XILFIYIFWXYXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NOS/c1-14(2)19(21)20-17(16-10-5-4-6-11-16)13-22-18-12-8-7-9-15(18)3/h4-13H,1H2,2-3H3,(H,20,21).
What are the key properties of 2-methyl-N-[2-(2-methylphenyl)sulfanyl-1-phenylethenyl]prop-2-enamide?
2-methyl-N-[2-(2-methylphenyl)sulfanyl-1-phenylethenyl]prop-2-enamide has a molecular weight of 309.43 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2-methylphenyl)sulfanyl-1-phenylethenyl]prop-2-enamide is sourced from PubChem (CID 175573802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).