(E)-N-[(2S)-2-hydroxy-3-phenylpropyl]-3-thiophen-3-ylprop-2-enamide

C16H17NO2S — CID 95367859

IUPAC(E)-N-[(2S)-2-hydroxy-3-phenylpropyl]-3-thiophen-3-ylprop-2-enamide
SMILESO=C(/C=C/c1ccsc1)NC[C@@H](O)Cc1ccccc1
InChIInChI=1S/C16H17NO2S/c18-15(10-13-4-2-1-3-5-13)11-17-16(19)7-6-14-8-9-20-12-14/h1-9,12,15,18H,10-11H2,(H,17,19)/b7-6+/t15-/m0/s1
InChIKeyMESWKABOJFWNSZ-LFAOLKIESA-N
MW287.38 g/mol
LogP2.48
Rot. Bonds6

About (E)-N-[(2S)-2-hydroxy-3-phenylpropyl]-3-thiophen-3-ylprop-2-enamide

(E)-N-[(2S)-2-hydroxy-3-phenylpropyl]-3-thiophen-3-ylprop-2-enamide (PubChem CID 95367859) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is (E)-N-[(2S)-2-hydroxy-3-phenylpropyl]-3-thiophen-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2S)-2-hydroxy-3-phenylpropyl]-3-thiophen-3-ylprop-2-enamide
PubChem CID95367859
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name(E)-N-[(2S)-2-hydroxy-3-phenylpropyl]-3-thiophen-3-ylprop-2-enamide
SMILESO=C(/C=C/c1ccsc1)NC[C@@H](O)Cc1ccccc1
InChIInChI=1S/C16H17NO2S/c18-15(10-13-4-2-1-3-5-13)11-17-16(19)7-6-14-8-9-20-12-14/h1-9,12,15,18H,10-11H2,(H,17,19)/b7-6+/t15-/m0/s1
InChIKeyMESWKABOJFWNSZ-LFAOLKIESA-N
XLogP2.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 52.48
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)-N-(2-hydroxy-3-phenylpropyl)-3-thiophen-3-ylprop-2-enamide
CID 56765287
(E)-N-(2-hydroxy-3-phenylpropyl)-3-(4-nitrophenyl)prop-2-enamide
CID 90534392
(E)-N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-thiophen-3-ylprop-2-enamide
CID 97414072
(E)-N-[2-methoxy-2-(2-methylphenyl)ethyl]-3-thiophen-3-ylprop-2-enamide
CID 71810505
(Z)-N-[(2R)-2,3-dihydroxypropyl]-3-phenylprop-2-enamide
CID 92526146
(E)-3-(3-aminophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)prop-2-enamide
CID 106435401
tris((E)-N-[(2R)-2-hydroxybutyl]-3-phenylprop-2-enamide);hydrate
CID 139062706
(E)-N-[(1-phenylcyclobutyl)methyl]-3-thiophen-3-ylprop-2-enamide
CID 24614536
N-[(2S)-2-hydroxy-3-phenylpropyl]acetamide
CID 95367778
(E)-N-[(2-methoxyphenyl)methyl]-3-thiophen-3-ylprop-2-enamide
CID 9114802
(2S)-2-hydroxy-3-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid
CID 107832797
(E)-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-3-phenylprop-2-enamide
CID 122162578

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2S)-2-hydroxy-3-phenylpropyl]-3-thiophen-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[(2S)-2-hydroxy-3-phenylpropyl]-3-thiophen-3-ylprop-2-enamide (CID 95367859) is (E)-N-[(2S)-2-hydroxy-3-phenylpropyl]-3-thiophen-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[(2S)-2-hydroxy-3-phenylpropyl]-3-thiophen-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[(2S)-2-hydroxy-3-phenylpropyl]-3-thiophen-3-ylprop-2-enamide is O=C(/C=C/c1ccsc1)NC[C@@H](O)Cc1ccccc1.
What is the InChIKey of (E)-N-[(2S)-2-hydroxy-3-phenylpropyl]-3-thiophen-3-ylprop-2-enamide?
The InChIKey is MESWKABOJFWNSZ-LFAOLKIESA-N. The full InChI is InChI=1S/C16H17NO2S/c18-15(10-13-4-2-1-3-5-13)11-17-16(19)7-6-14-8-9-20-12-14/h1-9,12,15,18H,10-11H2,(H,17,19)/b7-6+/t15-/m0/s1.
What are the key properties of (E)-N-[(2S)-2-hydroxy-3-phenylpropyl]-3-thiophen-3-ylprop-2-enamide?
(E)-N-[(2S)-2-hydroxy-3-phenylpropyl]-3-thiophen-3-ylprop-2-enamide has a molecular weight of 287.38 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2S)-2-hydroxy-3-phenylpropyl]-3-thiophen-3-ylprop-2-enamide is sourced from PubChem (CID 95367859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).