(E)-N-(2-ethyl-6-methylphenyl)-3-(4-methylsulfanylphenyl)prop-2-enamide

C19H21NOS — CID 8015224

IUPAC(E)-N-(2-ethyl-6-methylphenyl)-3-(4-methylsulfanylphenyl)prop-2-enamide
SMILESCCc1cccc(C)c1NC(=O)/C=C/c1ccc(SC)cc1
InChIInChI=1S/C19H21NOS/c1-4-16-7-5-6-14(2)19(16)20-18(21)13-10-15-8-11-17(22-3)12-9-15/h5-13H,4H2,1-3H3,(H,20,21)/b13-10+
InChIKeyBGAKZYLLKXPRRU-JLHYYAGUSA-N
MW311.45 g/mol
LogP4.93
Rot. Bonds5

About (E)-N-(2-ethyl-6-methylphenyl)-3-(4-methylsulfanylphenyl)prop-2-enamide

(E)-N-(2-ethyl-6-methylphenyl)-3-(4-methylsulfanylphenyl)prop-2-enamide (PubChem CID 8015224) has the molecular formula C19H21NOS and a molecular weight of 311.45 g/mol. Its IUPAC name is (E)-N-(2-ethyl-6-methylphenyl)-3-(4-methylsulfanylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-ethyl-6-methylphenyl)-3-(4-methylsulfanylphenyl)prop-2-enamide
PubChem CID8015224
Molecular FormulaC19H21NOS
Molecular Weight311.45 g/mol
Exact Mass311.13
IUPAC Name(E)-N-(2-ethyl-6-methylphenyl)-3-(4-methylsulfanylphenyl)prop-2-enamide
SMILESCCc1cccc(C)c1NC(=O)/C=C/c1ccc(SC)cc1
InChIInChI=1S/C19H21NOS/c1-4-16-7-5-6-14(2)19(16)20-18(21)13-10-15-8-11-17(22-3)12-9-15/h5-13H,4H2,1-3H3,(H,20,21)/b13-10+
InChIKeyBGAKZYLLKXPRRU-JLHYYAGUSA-N
XLogP4.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 54.93
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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Related Compounds

N-(2-ethyl-6-methylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 3643097
(E)-N,N'-bis(2-ethyl-6-methylphenyl)but-2-enediamide
CID 17407260
(E)-3-(3-amino-4-fluorophenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 39419234
3-(3,4-dichlorophenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 3605032
(E)-3-(3-chloro-4-fluorophenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 8761699
(E)-N-(2-ethyl-6-methylphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 8761389
(E)-3-[4-(cyanomethoxy)phenyl]-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 26086673
N-[(2-ethyl-6-methylphenyl)carbamothioyl]-3-(4-methylphenyl)prop-2-enamide
CID 4936312
(E)-N-(2-ethyl-6-methylphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 46615951
(E)-N-(2-ethyl-6-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 874179
(E)-N-(2-ethyl-6-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2665542
3-(2,6-dimethoxyphenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 963630

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-ethyl-6-methylphenyl)-3-(4-methylsulfanylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-ethyl-6-methylphenyl)-3-(4-methylsulfanylphenyl)prop-2-enamide (CID 8015224) is (E)-N-(2-ethyl-6-methylphenyl)-3-(4-methylsulfanylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-ethyl-6-methylphenyl)-3-(4-methylsulfanylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-ethyl-6-methylphenyl)-3-(4-methylsulfanylphenyl)prop-2-enamide is CCc1cccc(C)c1NC(=O)/C=C/c1ccc(SC)cc1.
What is the InChIKey of (E)-N-(2-ethyl-6-methylphenyl)-3-(4-methylsulfanylphenyl)prop-2-enamide?
The InChIKey is BGAKZYLLKXPRRU-JLHYYAGUSA-N. The full InChI is InChI=1S/C19H21NOS/c1-4-16-7-5-6-14(2)19(16)20-18(21)13-10-15-8-11-17(22-3)12-9-15/h5-13H,4H2,1-3H3,(H,20,21)/b13-10+.
What are the key properties of (E)-N-(2-ethyl-6-methylphenyl)-3-(4-methylsulfanylphenyl)prop-2-enamide?
(E)-N-(2-ethyl-6-methylphenyl)-3-(4-methylsulfanylphenyl)prop-2-enamide has a molecular weight of 311.45 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-ethyl-6-methylphenyl)-3-(4-methylsulfanylphenyl)prop-2-enamide is sourced from PubChem (CID 8015224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).