(E)-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-3-phenylprop-2-enamide

C17H19NO3S — CID 122162578

IUPAC(E)-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCC(OCCO)c1ccsc1
InChIInChI=1S/C17H19NO3S/c19-9-10-21-16(15-8-11-22-13-15)12-18-17(20)7-6-14-4-2-1-3-5-14/h1-8,11,13,16,19H,9-10,12H2,(H,18,20)/b7-6+
InChIKeyORCWDWDHVXNDCZ-VOTSOKGWSA-N
MW317.41 g/mol
LogP2.63
Rot. Bonds8

About (E)-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-3-phenylprop-2-enamide

(E)-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-3-phenylprop-2-enamide (PubChem CID 122162578) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is (E)-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-3-phenylprop-2-enamide
PubChem CID122162578
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name(E)-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCC(OCCO)c1ccsc1
InChIInChI=1S/C17H19NO3S/c19-9-10-21-16(15-8-11-22-13-15)12-18-17(20)7-6-14-4-2-1-3-5-14/h1-8,11,13,16,19H,9-10,12H2,(H,18,20)/b7-6+
InChIKeyORCWDWDHVXNDCZ-VOTSOKGWSA-N
XLogP2.63
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]benzamide
CID 122162583
2-chloro-6-fluoro-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]benzamide
CID 122162593
(E)-N-[2-methoxy-2-(2-methylphenyl)ethyl]-3-thiophen-3-ylprop-2-enamide
CID 71810505
(E)-3-(3-aminophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)prop-2-enamide
CID 106435401
N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 122162600
(Z)-N-[(2R)-2,3-dihydroxypropyl]-3-phenylprop-2-enamide
CID 92526146
(E)-N-(2-hydroxy-3-phenylpropyl)-3-thiophen-3-ylprop-2-enamide
CID 56765287
(E)-N-[(2S)-2-hydroxy-3-phenylpropyl]-3-thiophen-3-ylprop-2-enamide
CID 95367859
2-(4-chlorophenoxy)-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-2-methylpropanamide
CID 122162608
(2S)-2-hydroxy-3-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid
CID 107832797
1-(1,3-benzodioxol-5-yl)-3-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]urea
CID 122162659
(E)-N-(2-aminopropyl)-3-phenylprop-2-enamide
CID 63733129

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-3-phenylprop-2-enamide (CID 122162578) is (E)-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)NCC(OCCO)c1ccsc1.
What is the InChIKey of (E)-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-3-phenylprop-2-enamide?
The InChIKey is ORCWDWDHVXNDCZ-VOTSOKGWSA-N. The full InChI is InChI=1S/C17H19NO3S/c19-9-10-21-16(15-8-11-22-13-15)12-18-17(20)7-6-14-4-2-1-3-5-14/h1-8,11,13,16,19H,9-10,12H2,(H,18,20)/b7-6+.
What are the key properties of (E)-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-3-phenylprop-2-enamide?
(E)-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-3-phenylprop-2-enamide has a molecular weight of 317.41 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 122162578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).