(E)-3-[2-(2,4-dichlorophenyl)sulfanylphenyl]-N-(2-hydroxyethyl)prop-2-enamide

C17H15Cl2NO2S — CID 10571024

IUPAC(E)-3-[2-(2,4-dichlorophenyl)sulfanylphenyl]-N-(2-hydroxyethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Sc1ccc(Cl)cc1Cl)NCCO
InChIInChI=1S/C17H15Cl2NO2S/c18-13-6-7-16(14(19)11-13)23-15-4-2-1-3-12(15)5-8-17(22)20-9-10-21/h1-8,11,21H,9-10H2,(H,20,22)/b8-5+
InChIKeyUOVCVQRFGQFTRP-VMPITWQZSA-N
MW368.29 g/mol
LogP4.27
Rot. Bonds6

About (E)-3-[2-(2,4-dichlorophenyl)sulfanylphenyl]-N-(2-hydroxyethyl)prop-2-enamide

(E)-3-[2-(2,4-dichlorophenyl)sulfanylphenyl]-N-(2-hydroxyethyl)prop-2-enamide (PubChem CID 10571024) has the molecular formula C17H15Cl2NO2S and a molecular weight of 368.29 g/mol. Its IUPAC name is (E)-3-[2-(2,4-dichlorophenyl)sulfanylphenyl]-N-(2-hydroxyethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-(2,4-dichlorophenyl)sulfanylphenyl]-N-(2-hydroxyethyl)prop-2-enamide
PubChem CID10571024
Molecular FormulaC17H15Cl2NO2S
Molecular Weight368.29 g/mol
Exact Mass367.02
IUPAC Name(E)-3-[2-(2,4-dichlorophenyl)sulfanylphenyl]-N-(2-hydroxyethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Sc1ccc(Cl)cc1Cl)NCCO
InChIInChI=1S/C17H15Cl2NO2S/c18-13-6-7-16(14(19)11-13)23-15-4-2-1-3-12(15)5-8-17(22)20-9-10-21/h1-8,11,21H,9-10H2,(H,20,22)/b8-5+
InChIKeyUOVCVQRFGQFTRP-VMPITWQZSA-N
XLogP4.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.29
LogP ≤ 54.27
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(2,4-dichlorophenyl)sulfanylphenyl]-N-(2-hydroxyethyl)prop-2-enamide?
The IUPAC name of (E)-3-[2-(2,4-dichlorophenyl)sulfanylphenyl]-N-(2-hydroxyethyl)prop-2-enamide (CID 10571024) is (E)-3-[2-(2,4-dichlorophenyl)sulfanylphenyl]-N-(2-hydroxyethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-[2-(2,4-dichlorophenyl)sulfanylphenyl]-N-(2-hydroxyethyl)prop-2-enamide?
The canonical SMILES for (E)-3-[2-(2,4-dichlorophenyl)sulfanylphenyl]-N-(2-hydroxyethyl)prop-2-enamide is O=C(/C=C/c1ccccc1Sc1ccc(Cl)cc1Cl)NCCO.
What is the InChIKey of (E)-3-[2-(2,4-dichlorophenyl)sulfanylphenyl]-N-(2-hydroxyethyl)prop-2-enamide?
The InChIKey is UOVCVQRFGQFTRP-VMPITWQZSA-N. The full InChI is InChI=1S/C17H15Cl2NO2S/c18-13-6-7-16(14(19)11-13)23-15-4-2-1-3-12(15)5-8-17(22)20-9-10-21/h1-8,11,21H,9-10H2,(H,20,22)/b8-5+.
What are the key properties of (E)-3-[2-(2,4-dichlorophenyl)sulfanylphenyl]-N-(2-hydroxyethyl)prop-2-enamide?
(E)-3-[2-(2,4-dichlorophenyl)sulfanylphenyl]-N-(2-hydroxyethyl)prop-2-enamide has a molecular weight of 368.29 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(2,4-dichlorophenyl)sulfanylphenyl]-N-(2-hydroxyethyl)prop-2-enamide is sourced from PubChem (CID 10571024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).