N-(2-hydroxyethyl)-N-[(E)-3-phenylprop-2-enyl]-2-thiophen-3-ylacetamide

C17H19NO2S — CID 50962725

IUPACN-(2-hydroxyethyl)-N-[(E)-3-phenylprop-2-enyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)N(C/C=C/c1ccccc1)CCO
InChIInChI=1S/C17H19NO2S/c19-11-10-18(17(20)13-16-8-12-21-14-16)9-4-7-15-5-2-1-3-6-15/h1-8,12,14,19H,9-11,13H2/b7-4+
InChIKeyIBIXQRZMKHHUOF-QPJJXVBHSA-N
MW301.41 g/mol
LogP2.82
Rot. Bonds7

About N-(2-hydroxyethyl)-N-[(E)-3-phenylprop-2-enyl]-2-thiophen-3-ylacetamide

N-(2-hydroxyethyl)-N-[(E)-3-phenylprop-2-enyl]-2-thiophen-3-ylacetamide (PubChem CID 50962725) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-[(E)-3-phenylprop-2-enyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-[(E)-3-phenylprop-2-enyl]-2-thiophen-3-ylacetamide
PubChem CID50962725
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-(2-hydroxyethyl)-N-[(E)-3-phenylprop-2-enyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)N(C/C=C/c1ccccc1)CCO
InChIInChI=1S/C17H19NO2S/c19-11-10-18(17(20)13-16-8-12-21-14-16)9-4-7-15-5-2-1-3-6-15/h1-8,12,14,19H,9-11,13H2/b7-4+
InChIKeyIBIXQRZMKHHUOF-QPJJXVBHSA-N
XLogP2.82
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(2-hydroxyethyl)-2-thiophen-3-ylacetamide
CID 60653994
N-(2-aminoethyl)-N-(2-phenylethyl)-2-thiophen-3-ylacetamide
CID 120885888
N,N-bis[(E)-3-phenylprop-2-enyl]benzamide
CID 139601549
N,N-diethyl-2-thiophen-3-ylacetamide
CID 60635955
1-(2-hydroxyethyl)-1-(3-phenylprop-2-enyl)-3-(2,2,2-trifluoroethyl)urea
CID 171134574
N-(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)-N-(3-phenylprop-2-enyl)acetamide
CID 171135111
N-(2-hydroxyethyl)-N-(2-phenylethyl)thiophene-3-carboxamide
CID 111122178
2-[methyl-[(E)-3-phenylprop-2-enyl]amino]ethanol
CID 14988338
N-ethyl-2-(2-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]acetamide
CID 46995618
2-(dimethylamino)-N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-[(E)-3-phenylprop-2-enyl]acetamide
CID 72890883
N-ethyl-2-methyl-N-[(Z)-3-phenylprop-2-enyl]butanamide
CID 122692160
N-(2-bromoethyl)-N-propyl-2-thiophen-3-ylacetamide
CID 80660414

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-[(E)-3-phenylprop-2-enyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-(2-hydroxyethyl)-N-[(E)-3-phenylprop-2-enyl]-2-thiophen-3-ylacetamide (CID 50962725) is N-(2-hydroxyethyl)-N-[(E)-3-phenylprop-2-enyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-[(E)-3-phenylprop-2-enyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-[(E)-3-phenylprop-2-enyl]-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)N(C/C=C/c1ccccc1)CCO.
What is the InChIKey of N-(2-hydroxyethyl)-N-[(E)-3-phenylprop-2-enyl]-2-thiophen-3-ylacetamide?
The InChIKey is IBIXQRZMKHHUOF-QPJJXVBHSA-N. The full InChI is InChI=1S/C17H19NO2S/c19-11-10-18(17(20)13-16-8-12-21-14-16)9-4-7-15-5-2-1-3-6-15/h1-8,12,14,19H,9-11,13H2/b7-4+.
What are the key properties of N-(2-hydroxyethyl)-N-[(E)-3-phenylprop-2-enyl]-2-thiophen-3-ylacetamide?
N-(2-hydroxyethyl)-N-[(E)-3-phenylprop-2-enyl]-2-thiophen-3-ylacetamide has a molecular weight of 301.41 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-[(E)-3-phenylprop-2-enyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 50962725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).