(E)-N-[(2R)-1-[4-(hydroxycarbamothioyl)phenoxy]-3-phenylpropan-2-yl]-3-phenylprop-2-enamide

C25H24N2O3S — CID 87641551

IUPAC(E)-N-[(2R)-1-[4-(hydroxycarbamothioyl)phenoxy]-3-phenylpropan-2-yl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)N[C@@H](COc1ccc(C(=S)NO)cc1)Cc1ccccc1
InChIInChI=1S/C25H24N2O3S/c28-24(16-11-19-7-3-1-4-8-19)26-22(17-20-9-5-2-6-10-20)18-30-23-14-12-21(13-15-23)25(31)27-29/h1-16,22,29H,17-18H2,(H,26,28)(H,27,31)/b16-11+/t22-/m1/s1
InChIKeyZXNJZZJECTXABN-UPMCQBDUSA-N
MW432.55 g/mol
LogP4.16
Rot. Bonds9

About (E)-N-[(2R)-1-[4-(hydroxycarbamothioyl)phenoxy]-3-phenylpropan-2-yl]-3-phenylprop-2-enamide

(E)-N-[(2R)-1-[4-(hydroxycarbamothioyl)phenoxy]-3-phenylpropan-2-yl]-3-phenylprop-2-enamide (PubChem CID 87641551) has the molecular formula C25H24N2O3S and a molecular weight of 432.55 g/mol. Its IUPAC name is (E)-N-[(2R)-1-[4-(hydroxycarbamothioyl)phenoxy]-3-phenylpropan-2-yl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2R)-1-[4-(hydroxycarbamothioyl)phenoxy]-3-phenylpropan-2-yl]-3-phenylprop-2-enamide
PubChem CID87641551
Molecular FormulaC25H24N2O3S
Molecular Weight432.55 g/mol
Exact Mass432.15
IUPAC Name(E)-N-[(2R)-1-[4-(hydroxycarbamothioyl)phenoxy]-3-phenylpropan-2-yl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)N[C@@H](COc1ccc(C(=S)NO)cc1)Cc1ccccc1
InChIInChI=1S/C25H24N2O3S/c28-24(16-11-19-7-3-1-4-8-19)26-22(17-20-9-5-2-6-10-20)18-30-23-14-12-21(13-15-23)25(31)27-29/h1-16,22,29H,17-18H2,(H,26,28)(H,27,31)/b16-11+/t22-/m1/s1
InChIKeyZXNJZZJECTXABN-UPMCQBDUSA-N
XLogP4.16
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-N-[(2R)-1-[4-(hydroxycarbamothioyl)phenoxy]-3-phenylpropan-2-yl]-3-phenylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-hydroxy-4-[4-methylsulfonyl-2-[[(E)-3-phenylprop-2-enoyl]amino]butoxy]benzamide
CID 87108509
N-[1-(1-hydroxypropan-2-yloxy)-3-phenylpropan-2-yl]-3-phenylprop-2-enamide
CID 77384959
N-[(2S)-4-[4-(hydroxycarbamothioyl)phenyl]but-3-yn-2-yl]-3-phenylprop-2-enamide
CID 87640979
(E)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-3-phenylprop-2-enamide
CID 99995518
(E)-N-[3-[4-(hydroxycarbamothioyl)phenoxy]propyl]-N-methyl-3-phenylprop-2-enamide
CID 87641050
(2R)-3-phenyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]propanoic acid
CID 92523935
3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid
CID 6247145
(2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 137349985
4-phenylmethoxy-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide
CID 6234109
(E)-3-(4-methoxyphenyl)-N-[(2R)-1-phenylpropan-2-yl]prop-2-enamide
CID 757128
(E)-N-[2-[4-(hydroxycarbamothioyl)phenoxy]ethyl]-3-pyridin-3-ylprop-2-enamide
CID 87641139
(E)-1-[4-[(2S)-2-hydroxy-3-[4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenoxy]propoxy]phenyl]-3-phenylprop-2-en-1-one
CID 124767910

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2R)-1-[4-(hydroxycarbamothioyl)phenoxy]-3-phenylpropan-2-yl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[(2R)-1-[4-(hydroxycarbamothioyl)phenoxy]-3-phenylpropan-2-yl]-3-phenylprop-2-enamide (CID 87641551) is (E)-N-[(2R)-1-[4-(hydroxycarbamothioyl)phenoxy]-3-phenylpropan-2-yl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[(2R)-1-[4-(hydroxycarbamothioyl)phenoxy]-3-phenylpropan-2-yl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[(2R)-1-[4-(hydroxycarbamothioyl)phenoxy]-3-phenylpropan-2-yl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)N[C@@H](COc1ccc(C(=S)NO)cc1)Cc1ccccc1.
What is the InChIKey of (E)-N-[(2R)-1-[4-(hydroxycarbamothioyl)phenoxy]-3-phenylpropan-2-yl]-3-phenylprop-2-enamide?
The InChIKey is ZXNJZZJECTXABN-UPMCQBDUSA-N. The full InChI is InChI=1S/C25H24N2O3S/c28-24(16-11-19-7-3-1-4-8-19)26-22(17-20-9-5-2-6-10-20)18-30-23-14-12-21(13-15-23)25(31)27-29/h1-16,22,29H,17-18H2,(H,26,28)(H,27,31)/b16-11+/t22-/m1/s1.
What are the key properties of (E)-N-[(2R)-1-[4-(hydroxycarbamothioyl)phenoxy]-3-phenylpropan-2-yl]-3-phenylprop-2-enamide?
(E)-N-[(2R)-1-[4-(hydroxycarbamothioyl)phenoxy]-3-phenylpropan-2-yl]-3-phenylprop-2-enamide has a molecular weight of 432.55 g/mol, XLogP of 4.16, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2R)-1-[4-(hydroxycarbamothioyl)phenoxy]-3-phenylpropan-2-yl]-3-phenylprop-2-enamide is sourced from PubChem (CID 87641551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).