2-(4-methylphenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide

C17H19NO2S — CID 67511579

IUPAC2-(4-methylphenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
SMILESC=CCN(Cc1cccs1)C(=O)COc1ccc(C)cc1
InChIInChI=1S/C17H19NO2S/c1-3-10-18(12-16-5-4-11-21-16)17(19)13-20-15-8-6-14(2)7-9-15/h3-9,11H,1,10,12-13H2,2H3
InChIKeyWYHGFVAUNXACPY-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.65
Rot. Bonds7

About 2-(4-methylphenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide

2-(4-methylphenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 67511579) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID67511579
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name2-(4-methylphenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
SMILESC=CCN(Cc1cccs1)C(=O)COc1ccc(C)cc1
InChIInChI=1S/C17H19NO2S/c1-3-10-18(12-16-5-4-11-21-16)17(19)13-20-15-8-6-14(2)7-9-15/h3-9,11H,1,10,12-13H2,2H3
InChIKeyWYHGFVAUNXACPY-UHFFFAOYSA-N
XLogP3.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 78801568
2-(3-aminophenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 61035595
2-[(2-phenoxyacetyl)amino]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 31330766
N-ethyl-2-(4-fluorophenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67512148
2-(4-ethoxyphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 84601120
2-(1-hydroxypropan-2-ylsulfanyl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 113244573
2-(4-pyridin-2-yloxyphenoxy)-N,N-bis(thiophen-2-ylmethyl)acetamide
CID 31841903
2-[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]sulfanylpropanoic acid
CID 43238313
2-methyl-2-[[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]amino]butanoic acid
CID 79791958
N-methyl-2-phenoxy-N-(thiophen-2-ylmethyl)acetamide
CID 78762396
N-ethyl-2-(2-hydroxy-5-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67511619
2-[2-hydroxyethyl(2-methoxyethyl)amino]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 115613846

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide (CID 67511579) is 2-(4-methylphenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide is C=CCN(Cc1cccs1)C(=O)COc1ccc(C)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is WYHGFVAUNXACPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-3-10-18(12-16-5-4-11-21-16)17(19)13-20-15-8-6-14(2)7-9-15/h3-9,11H,1,10,12-13H2,2H3.
What are the key properties of 2-(4-methylphenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide?
2-(4-methylphenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 301.41 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 67511579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).