(E)-3-(3,4-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)prop-2-enamide

C15H13Cl2NO2S — CID 103771659

IUPAC(E)-3-(3,4-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)c(Cl)c1)NCC(O)c1ccsc1
InChIInChI=1S/C15H13Cl2NO2S/c16-12-3-1-10(7-13(12)17)2-4-15(20)18-8-14(19)11-5-6-21-9-11/h1-7,9,14,19H,8H2,(H,18,20)/b4-2+
InChIKeyWVKWFXVOUYSZAD-DUXPYHPUSA-N
MW342.25 g/mol
LogP3.92
Rot. Bonds5

About (E)-3-(3,4-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)prop-2-enamide

(E)-3-(3,4-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)prop-2-enamide (PubChem CID 103771659) has the molecular formula C15H13Cl2NO2S and a molecular weight of 342.25 g/mol. Its IUPAC name is (E)-3-(3,4-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,4-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)prop-2-enamide
PubChem CID103771659
Molecular FormulaC15H13Cl2NO2S
Molecular Weight342.25 g/mol
Exact Mass341.00
IUPAC Name(E)-3-(3,4-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)c(Cl)c1)NCC(O)c1ccsc1
InChIInChI=1S/C15H13Cl2NO2S/c16-12-3-1-10(7-13(12)17)2-4-15(20)18-8-14(19)11-5-6-21-9-11/h1-7,9,14,19H,8H2,(H,18,20)/b4-2+
InChIKeyWVKWFXVOUYSZAD-DUXPYHPUSA-N
XLogP3.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.25
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-aminophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)prop-2-enamide
CID 106435401
(E)-4-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-4-oxobut-2-enoic acid
CID 106434672
2-(3,4-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103686528
(E)-3-(3,4-dichlorophenyl)-N-[2-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 6176554
(E)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide
CID 23874492
3-amino-4-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 106434334
(E)-3-(2-chlorophenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)prop-2-enamide
CID 86264104
3-(3,4-dichlorophenyl)-N-[[3-[[3-(3,4-dichlorophenyl)prop-2-enoylamino]methyl]phenyl]methyl]prop-2-enamide
CID 3261410
(E)-N-benzyl-3-(3,4-dichlorophenyl)prop-2-enamide
CID 898158
3-(3,4-dichlorophenyl)-N-prop-2-enylprop-2-enamide
CID 2933752
3-chloro-4-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 103686182
2-[1-(3,4-dichlorophenyl)propylamino]-1-thiophen-3-ylethanol
CID 103785268

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)prop-2-enamide?
The IUPAC name of (E)-3-(3,4-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)prop-2-enamide (CID 103771659) is (E)-3-(3,4-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3,4-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3,4-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)prop-2-enamide is O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCC(O)c1ccsc1.
What is the InChIKey of (E)-3-(3,4-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)prop-2-enamide?
The InChIKey is WVKWFXVOUYSZAD-DUXPYHPUSA-N. The full InChI is InChI=1S/C15H13Cl2NO2S/c16-12-3-1-10(7-13(12)17)2-4-15(20)18-8-14(19)11-5-6-21-9-11/h1-7,9,14,19H,8H2,(H,18,20)/b4-2+.
What are the key properties of (E)-3-(3,4-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)prop-2-enamide?
(E)-3-(3,4-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)prop-2-enamide has a molecular weight of 342.25 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)prop-2-enamide is sourced from PubChem (CID 103771659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).