(E)-N-[2-methoxy-2-(2-methylphenyl)ethyl]-3-thiophen-3-ylprop-2-enamide

C17H19NO2S — CID 71810505

IUPAC(E)-N-[2-methoxy-2-(2-methylphenyl)ethyl]-3-thiophen-3-ylprop-2-enamide
SMILESCOC(CNC(=O)/C=C/c1ccsc1)c1ccccc1C
InChIInChI=1S/C17H19NO2S/c1-13-5-3-4-6-15(13)16(20-2)11-18-17(19)8-7-14-9-10-21-12-14/h3-10,12,16H,11H2,1-2H3,(H,18,19)/b8-7+
InChIKeyWTUWGNNOGMYZEB-BQYQJAHWSA-N
MW301.41 g/mol
LogP3.57
Rot. Bonds6

About (E)-N-[2-methoxy-2-(2-methylphenyl)ethyl]-3-thiophen-3-ylprop-2-enamide

(E)-N-[2-methoxy-2-(2-methylphenyl)ethyl]-3-thiophen-3-ylprop-2-enamide (PubChem CID 71810505) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is (E)-N-[2-methoxy-2-(2-methylphenyl)ethyl]-3-thiophen-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-methoxy-2-(2-methylphenyl)ethyl]-3-thiophen-3-ylprop-2-enamide
PubChem CID71810505
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name(E)-N-[2-methoxy-2-(2-methylphenyl)ethyl]-3-thiophen-3-ylprop-2-enamide
SMILESCOC(CNC(=O)/C=C/c1ccsc1)c1ccccc1C
InChIInChI=1S/C17H19NO2S/c1-13-5-3-4-6-15(13)16(20-2)11-18-17(19)8-7-14-9-10-21-12-14/h3-10,12,16H,11H2,1-2H3,(H,18,19)/b8-7+
InChIKeyWTUWGNNOGMYZEB-BQYQJAHWSA-N
XLogP3.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
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-methoxyphenyl)methyl]-3-thiophen-3-ylprop-2-enamide
CID 9114802
(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
(E)-N-(2,6-dimethylphenyl)-3-thiophen-3-ylprop-2-enamide
CID 51191800
1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-propan-2-ylurea
CID 97417874
(E)-N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-thiophen-3-ylprop-2-enamide
CID 97414072
1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-(2-methylphenyl)urea
CID 97417882
N-[2-methoxy-2-(2-methylphenyl)ethyl]-3,3-dimethylbutanamide
CID 90598675
(E)-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-3-phenylprop-2-enamide
CID 122162578
methyl (Z)-3-thiophen-3-ylprop-2-enoate
CID 35026955
(E)-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-(4-nitrophenyl)prop-2-enamide
CID 90598018
4-fluoro-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]benzamide
CID 97417642

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-methoxy-2-(2-methylphenyl)ethyl]-3-thiophen-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[2-methoxy-2-(2-methylphenyl)ethyl]-3-thiophen-3-ylprop-2-enamide (CID 71810505) is (E)-N-[2-methoxy-2-(2-methylphenyl)ethyl]-3-thiophen-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-methoxy-2-(2-methylphenyl)ethyl]-3-thiophen-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[2-methoxy-2-(2-methylphenyl)ethyl]-3-thiophen-3-ylprop-2-enamide is COC(CNC(=O)/C=C/c1ccsc1)c1ccccc1C.
What is the InChIKey of (E)-N-[2-methoxy-2-(2-methylphenyl)ethyl]-3-thiophen-3-ylprop-2-enamide?
The InChIKey is WTUWGNNOGMYZEB-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-13-5-3-4-6-15(13)16(20-2)11-18-17(19)8-7-14-9-10-21-12-14/h3-10,12,16H,11H2,1-2H3,(H,18,19)/b8-7+.
What are the key properties of (E)-N-[2-methoxy-2-(2-methylphenyl)ethyl]-3-thiophen-3-ylprop-2-enamide?
(E)-N-[2-methoxy-2-(2-methylphenyl)ethyl]-3-thiophen-3-ylprop-2-enamide has a molecular weight of 301.41 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-methoxy-2-(2-methylphenyl)ethyl]-3-thiophen-3-ylprop-2-enamide is sourced from PubChem (CID 71810505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).