(E)-3-(3-aminophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)prop-2-enamide

C15H16N2O2S — CID 106435401

IUPAC(E)-3-(3-aminophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)prop-2-enamide
SMILESNc1cccc(/C=C/C(=O)NCC(O)c2ccsc2)c1
InChIInChI=1S/C15H16N2O2S/c16-13-3-1-2-11(8-13)4-5-15(19)17-9-14(18)12-6-7-20-10-12/h1-8,10,14,18H,9,16H2,(H,17,19)/b5-4+
InChIKeyXQXIRGCECAAZBE-SNAWJCMRSA-N
MW288.37 g/mol
LogP2.19
Rot. Bonds5

About (E)-3-(3-aminophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)prop-2-enamide

(E)-3-(3-aminophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)prop-2-enamide (PubChem CID 106435401) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is (E)-3-(3-aminophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-aminophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)prop-2-enamide
PubChem CID106435401
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name(E)-3-(3-aminophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)prop-2-enamide
SMILESNc1cccc(/C=C/C(=O)NCC(O)c2ccsc2)c1
InChIInChI=1S/C15H16N2O2S/c16-13-3-1-2-11(8-13)4-5-15(19)17-9-14(18)12-6-7-20-10-12/h1-8,10,14,18H,9,16H2,(H,17,19)/b5-4+
InChIKeyXQXIRGCECAAZBE-SNAWJCMRSA-N
XLogP2.19
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3,4-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)prop-2-enamide
CID 103771659
(E)-3-(3-aminophenyl)-N-(1-thiophen-3-ylethyl)prop-2-enamide
CID 115344020
(E)-3-(3-aminophenyl)-N-(2,3-dihydroxypropyl)prop-2-enamide
CID 115344489
(E)-4-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-4-oxobut-2-enoic acid
CID 106434672
(E)-3-(3-aminophenyl)-N-ethylprop-2-enamide
CID 39238221
2-[[[(E)-3-(3-aminophenyl)prop-2-enoyl]amino]methyl]-3-methylbutanoic acid
CID 115344380
4-[[(E)-3-(3-aminophenyl)prop-2-enoyl]amino]-3-methylbutanoic acid
CID 115344698
(E)-3-(3-aminophenyl)-N-(4-hydroxy-2-methylbutyl)prop-2-enamide
CID 115344482
2-[[(E)-3-(3-aminophenyl)prop-2-enoyl]amino]acetic acid
CID 115343485
(E)-3-(3-aminophenyl)-N-[(4-hydroxyphenyl)methyl]prop-2-enamide
CID 114332120
(E)-N-[(2S)-2-hydroxy-3-phenylpropyl]-3-thiophen-3-ylprop-2-enamide
CID 95367859
(E)-N-(2-hydroxy-3-phenylpropyl)-3-thiophen-3-ylprop-2-enamide
CID 56765287

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-aminophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-aminophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)prop-2-enamide (CID 106435401) is (E)-3-(3-aminophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-aminophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-aminophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)prop-2-enamide is Nc1cccc(/C=C/C(=O)NCC(O)c2ccsc2)c1.
What is the InChIKey of (E)-3-(3-aminophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)prop-2-enamide?
The InChIKey is XQXIRGCECAAZBE-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H16N2O2S/c16-13-3-1-2-11(8-13)4-5-15(19)17-9-14(18)12-6-7-20-10-12/h1-8,10,14,18H,9,16H2,(H,17,19)/b5-4+.
What are the key properties of (E)-3-(3-aminophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)prop-2-enamide?
(E)-3-(3-aminophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)prop-2-enamide has a molecular weight of 288.37 g/mol, XLogP of 2.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-aminophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)prop-2-enamide is sourced from PubChem (CID 106435401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).