(E)-3-(2,4-dichlorophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide

C17H15Cl2NOS — CID 2283517

IUPAC(E)-3-(2,4-dichlorophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1Cl)NCCSc1ccccc1
InChIInChI=1S/C17H15Cl2NOS/c18-14-8-6-13(16(19)12-14)7-9-17(21)20-10-11-22-15-4-2-1-3-5-15/h1-9,12H,10-11H2,(H,20,21)/b9-7+
InChIKeyOLASVAKZYLVSBN-VQHVLOKHSA-N
MW352.29 g/mol
LogP4.92
Rot. Bonds6

About (E)-3-(2,4-dichlorophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide

(E)-3-(2,4-dichlorophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide (PubChem CID 2283517) has the molecular formula C17H15Cl2NOS and a molecular weight of 352.29 g/mol. Its IUPAC name is (E)-3-(2,4-dichlorophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,4-dichlorophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide
PubChem CID2283517
Molecular FormulaC17H15Cl2NOS
Molecular Weight352.29 g/mol
Exact Mass351.03
IUPAC Name(E)-3-(2,4-dichlorophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1Cl)NCCSc1ccccc1
InChIInChI=1S/C17H15Cl2NOS/c18-14-8-6-13(16(19)12-14)7-9-17(21)20-10-11-22-15-4-2-1-3-5-15/h1-9,12H,10-11H2,(H,20,21)/b9-7+
InChIKeyOLASVAKZYLVSBN-VQHVLOKHSA-N
XLogP4.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.29
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)-N-{2-[(4-methylphenyl)thio]ethyl}acrylamide
CID 2178457
3-(2-chlorophenyl)-N-{2-[(4-methylbenzyl)thio]ethyl}acrylamide
CID 2251340
3-(2-chlorophenyl)-N-{2-[(4-methylphenyl)thio]ethyl}acrylamide
CID 2267239
N-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 2105395
2-((Bis(4-chlorophenyl)methyl)thio)-N-propylacetamide
CID 76332748
3-(4-chlorophenyl)-N-[2-(phenylthio)ethyl]acrylamide
CID 2174683
3-(4-chlorophenyl)-N-{2-[(4-methylbenzyl)thio]ethyl}acrylamide
CID 2176635
N-{2-[(2-chlorobenzyl)thio]ethyl}-3-phenylacrylamide
CID 2260062
N-{2-[(4-chlorophenyl)thio]ethyl}-3-phenylacrylamide
CID 2279079
N-{2-[(4-chlorobenzyl)thio]ethyl}-3-phenylacrylamide
CID 2284813
(2E)-3-(2,4-dichlorophenyl)-N-[2-(phenylmethylthio)ethyl]prop-2-enamide
CID 2420385
2-[(2,6-dichlorobenzyl)sulfanyl]-N-(propan-2-yl)acetamide
CID 2467184

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dichlorophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide?
The IUPAC name of (E)-3-(2,4-dichlorophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide (CID 2283517) is (E)-3-(2,4-dichlorophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2,4-dichlorophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2,4-dichlorophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide is O=C(/C=C/c1ccc(Cl)cc1Cl)NCCSc1ccccc1.
What is the InChIKey of (E)-3-(2,4-dichlorophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide?
The InChIKey is OLASVAKZYLVSBN-VQHVLOKHSA-N. The full InChI is InChI=1S/C17H15Cl2NOS/c18-14-8-6-13(16(19)12-14)7-9-17(21)20-10-11-22-15-4-2-1-3-5-15/h1-9,12H,10-11H2,(H,20,21)/b9-7+.
What are the key properties of (E)-3-(2,4-dichlorophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide?
(E)-3-(2,4-dichlorophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide has a molecular weight of 352.29 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dichlorophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide is sourced from PubChem (CID 2283517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).