2-[(2-phenoxyacetyl)amino]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide

C18H20N2O3S — CID 31330766

IUPAC2-[(2-phenoxyacetyl)amino]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
SMILESC=CCN(Cc1cccs1)C(=O)CNC(=O)COc1ccccc1
InChIInChI=1S/C18H20N2O3S/c1-2-10-20(13-16-9-6-11-24-16)18(22)12-19-17(21)14-23-15-7-4-3-5-8-15/h2-9,11H,1,10,12-14H2,(H,19,21)
InChIKeyXSJJVOOXQFKAEW-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.46
Rot. Bonds9

About 2-[(2-phenoxyacetyl)amino]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide

2-[(2-phenoxyacetyl)amino]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 31330766) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 2-[(2-phenoxyacetyl)amino]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2-phenoxyacetyl)amino]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID31330766
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name2-[(2-phenoxyacetyl)amino]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
SMILESC=CCN(Cc1cccs1)C(=O)CNC(=O)COc1ccccc1
InChIInChI=1S/C18H20N2O3S/c1-2-10-20(13-16-9-6-11-24-16)18(22)12-19-17(21)14-23-15-7-4-3-5-8-15/h2-9,11H,1,10,12-14H2,(H,19,21)
InChIKeyXSJJVOOXQFKAEW-UHFFFAOYSA-N
XLogP2.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-2-[(2-phenoxyacetyl)amino]-N-prop-2-enylacetamide
CID 9108589
2-(4-methylphenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 67511579
2-(4-methoxyphenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 78801568
2-iodo-N-[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]benzamide
CID 31330561
2-(3-aminophenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 61035595
4-tert-butyl-N-[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]benzamide
CID 31330549
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
6-oxo-1-(2-phenoxyethyl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
CID 24548186
2-[(2-phenoxyacetyl)amino]-N-prop-2-enylacetamide
CID 2094904
N-benzyl-2-(prop-2-enylamino)-N-(thiophen-2-ylmethyl)acetamide
CID 4573039
2-[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]sulfanylpropanoic acid
CID 43238313

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenoxyacetyl)amino]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(2-phenoxyacetyl)amino]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide (CID 31330766) is 2-[(2-phenoxyacetyl)amino]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2-phenoxyacetyl)amino]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(2-phenoxyacetyl)amino]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide is C=CCN(Cc1cccs1)C(=O)CNC(=O)COc1ccccc1.
What is the InChIKey of 2-[(2-phenoxyacetyl)amino]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is XSJJVOOXQFKAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-2-10-20(13-16-9-6-11-24-16)18(22)12-19-17(21)14-23-15-7-4-3-5-8-15/h2-9,11H,1,10,12-14H2,(H,19,21).
What are the key properties of 2-[(2-phenoxyacetyl)amino]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide?
2-[(2-phenoxyacetyl)amino]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 344.44 g/mol, XLogP of 2.46, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenoxyacetyl)amino]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 31330766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).