(E)-N-[2-[4-(hydroxycarbamothioyl)phenoxy]ethyl]-3-(2-methoxyphenyl)prop-2-enamide

C19H20N2O4S — CID 87640882

IUPAC(E)-N-[2-[4-(hydroxycarbamothioyl)phenoxy]ethyl]-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)NCCOc1ccc(C(=S)NO)cc1
InChIInChI=1S/C19H20N2O4S/c1-24-17-5-3-2-4-14(17)8-11-18(22)20-12-13-25-16-9-6-15(7-10-16)19(26)21-23/h2-11,23H,12-13H2,1H3,(H,20,22)(H,21,26)/b11-8+
InChIKeyRASNKODXLBQEFM-DHZHZOJOSA-N
MW372.45 g/mol
LogP2.56
Rot. Bonds8

About (E)-N-[2-[4-(hydroxycarbamothioyl)phenoxy]ethyl]-3-(2-methoxyphenyl)prop-2-enamide

(E)-N-[2-[4-(hydroxycarbamothioyl)phenoxy]ethyl]-3-(2-methoxyphenyl)prop-2-enamide (PubChem CID 87640882) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is (E)-N-[2-[4-(hydroxycarbamothioyl)phenoxy]ethyl]-3-(2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-[4-(hydroxycarbamothioyl)phenoxy]ethyl]-3-(2-methoxyphenyl)prop-2-enamide
PubChem CID87640882
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name(E)-N-[2-[4-(hydroxycarbamothioyl)phenoxy]ethyl]-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)NCCOc1ccc(C(=S)NO)cc1
InChIInChI=1S/C19H20N2O4S/c1-24-17-5-3-2-4-14(17)8-11-18(22)20-12-13-25-16-9-6-15(7-10-16)19(26)21-23/h2-11,23H,12-13H2,1H3,(H,20,22)(H,21,26)/b11-8+
InChIKeyRASNKODXLBQEFM-DHZHZOJOSA-N
XLogP2.56
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[2-(4-methoxyphenoxy)ethyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide
CID 46442777
(E)-3-(2-bromophenyl)-N-[2-(2-methoxyphenoxy)ethyl]prop-2-enamide
CID 26555515
(E)-3-(furan-3-yl)-N-[2-[4-(hydroxycarbamothioyl)phenoxy]ethyl]prop-2-enamide
CID 87642239
(E)-N-[2-[4-(hydroxycarbamothioyl)phenoxy]ethyl]-3-pyridin-3-ylprop-2-enamide
CID 87641139
(E)-3-(2-ethoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]prop-2-enamide
CID 9366008
N-[2-[4-(hydroxycarbamothioyl)phenoxy]ethyl]-2-methoxynaphthalene-1-carboxamide
CID 87641341
3,4-dimethoxy-N-[2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]ethyl]benzamide
CID 108935148
(E)-3-(2-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 768479
(E)-3-(5-bromo-2-methoxyphenyl)-N-[2-(2-methoxyphenoxy)ethyl]prop-2-enamide
CID 26555434
N-hydroxy-3-(2-methoxyphenyl)prop-2-enamide
CID 123173944
methyl 4-[(E)-3-oxo-3-(2-phenoxyethylamino)prop-1-enyl]benzoate
CID 26903189
N-heptyl-3-(2-methoxyphenyl)prop-2-enamide
CID 3506378

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[4-(hydroxycarbamothioyl)phenoxy]ethyl]-3-(2-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-[4-(hydroxycarbamothioyl)phenoxy]ethyl]-3-(2-methoxyphenyl)prop-2-enamide (CID 87640882) is (E)-N-[2-[4-(hydroxycarbamothioyl)phenoxy]ethyl]-3-(2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-[4-(hydroxycarbamothioyl)phenoxy]ethyl]-3-(2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-[4-(hydroxycarbamothioyl)phenoxy]ethyl]-3-(2-methoxyphenyl)prop-2-enamide is COc1ccccc1/C=C/C(=O)NCCOc1ccc(C(=S)NO)cc1.
What is the InChIKey of (E)-N-[2-[4-(hydroxycarbamothioyl)phenoxy]ethyl]-3-(2-methoxyphenyl)prop-2-enamide?
The InChIKey is RASNKODXLBQEFM-DHZHZOJOSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-24-17-5-3-2-4-14(17)8-11-18(22)20-12-13-25-16-9-6-15(7-10-16)19(26)21-23/h2-11,23H,12-13H2,1H3,(H,20,22)(H,21,26)/b11-8+.
What are the key properties of (E)-N-[2-[4-(hydroxycarbamothioyl)phenoxy]ethyl]-3-(2-methoxyphenyl)prop-2-enamide?
(E)-N-[2-[4-(hydroxycarbamothioyl)phenoxy]ethyl]-3-(2-methoxyphenyl)prop-2-enamide has a molecular weight of 372.45 g/mol, XLogP of 2.56, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[4-(hydroxycarbamothioyl)phenoxy]ethyl]-3-(2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 87640882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).