(E)-N-(2-ethylsulfanylphenyl)-3-(4-methoxyphenyl)prop-2-enamide

C18H19NO2S — CID 30377596

IUPAC(E)-N-(2-ethylsulfanylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
SMILESCCSc1ccccc1NC(=O)/C=C/c1ccc(OC)cc1
InChIInChI=1S/C18H19NO2S/c1-3-22-17-7-5-4-6-16(17)19-18(20)13-10-14-8-11-15(21-2)12-9-14/h4-13H,3H2,1-2H3,(H,19,20)/b13-10+
InChIKeyUDUYNICIWQVKPC-JLHYYAGUSA-N
MW313.42 g/mol
LogP4.46
Rot. Bonds6

About (E)-N-(2-ethylsulfanylphenyl)-3-(4-methoxyphenyl)prop-2-enamide

(E)-N-(2-ethylsulfanylphenyl)-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 30377596) has the molecular formula C18H19NO2S and a molecular weight of 313.42 g/mol. Its IUPAC name is (E)-N-(2-ethylsulfanylphenyl)-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-ethylsulfanylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID30377596
Molecular FormulaC18H19NO2S
Molecular Weight313.42 g/mol
Exact Mass313.11
IUPAC Name(E)-N-(2-ethylsulfanylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
SMILESCCSc1ccccc1NC(=O)/C=C/c1ccc(OC)cc1
InChIInChI=1S/C18H19NO2S/c1-3-22-17-7-5-4-6-16(17)19-18(20)13-10-14-8-11-15(21-2)12-9-14/h4-13H,3H2,1-2H3,(H,19,20)/b13-10+
InChIKeyUDUYNICIWQVKPC-JLHYYAGUSA-N
XLogP4.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 668259
3-(4-methoxyphenyl)-N-(2-methylphenyl)prop-2-enamide
CID 5036068
(E)-3-(4-methoxyphenyl)-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 707164
(E)-N-(2-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773591
(E)-3-(4-methoxyphenyl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 896961
(2R)-N-(2-ethylsulfanylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 28568404
N-(2,3-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 668253
(E)-N-(2-benzoylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 99996652
(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
CID 102270516
(E)-N-[2-(2-phenoxyethylsulfanyl)phenyl]-3-phenylprop-2-enamide
CID 25112017
(2-amino-2-oxoethyl) 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoate
CID 2593504
N-[(2-hydroxyphenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 871823

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-ethylsulfanylphenyl)-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-ethylsulfanylphenyl)-3-(4-methoxyphenyl)prop-2-enamide (CID 30377596) is (E)-N-(2-ethylsulfanylphenyl)-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-ethylsulfanylphenyl)-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-ethylsulfanylphenyl)-3-(4-methoxyphenyl)prop-2-enamide is CCSc1ccccc1NC(=O)/C=C/c1ccc(OC)cc1.
What is the InChIKey of (E)-N-(2-ethylsulfanylphenyl)-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is UDUYNICIWQVKPC-JLHYYAGUSA-N. The full InChI is InChI=1S/C18H19NO2S/c1-3-22-17-7-5-4-6-16(17)19-18(20)13-10-14-8-11-15(21-2)12-9-14/h4-13H,3H2,1-2H3,(H,19,20)/b13-10+.
What are the key properties of (E)-N-(2-ethylsulfanylphenyl)-3-(4-methoxyphenyl)prop-2-enamide?
(E)-N-(2-ethylsulfanylphenyl)-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 313.42 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-ethylsulfanylphenyl)-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 30377596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).