2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(2-thiophen-2-ylethyl)acetamide

C13H20N2O2S — CID 115631915

IUPAC2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(2-thiophen-2-ylethyl)acetamide
SMILESC=CCN(CCO)CC(=O)NCCc1cccs1
InChIInChI=1S/C13H20N2O2S/c1-2-7-15(8-9-16)11-13(17)14-6-5-12-4-3-10-18-12/h2-4,10,16H,1,5-9,11H2,(H,14,17)
InChIKeyAAPPKACJRNHJPL-UHFFFAOYSA-N
MW268.38 g/mol
LogP0.89
Rot. Bonds9

About 2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(2-thiophen-2-ylethyl)acetamide

2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 115631915) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID115631915
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(2-thiophen-2-ylethyl)acetamide
SMILESC=CCN(CCO)CC(=O)NCCc1cccs1
InChIInChI=1S/C13H20N2O2S/c1-2-7-15(8-9-16)11-13(17)14-6-5-12-4-3-10-18-12/h2-4,10,16H,1,5-9,11H2,(H,14,17)
InChIKeyAAPPKACJRNHJPL-UHFFFAOYSA-N
XLogP0.89
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethanol
CID 115669656
2-[ethyl(3-hydroxypropyl)amino]-N-(2-thiophen-2-ylethyl)acetamide
CID 115666347
2-hydroxy-N-(2-thiophen-2-ylethyl)acetamide
CID 13454159
4-hydroxy-N-(2-thiophen-2-ylethyl)butanamide
CID 13185709
N-(2-acetamidoethyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
CID 113237459
3-bromo-N-(2-thiophen-2-ylethyl)propanamide
CID 82109303
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide
CID 18196445
methyl 2-[benzyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetate
CID 51091360
2-[bis(thiophen-2-ylmethyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 8801393
N-carbamoyl-3-[prop-2-enyl(thiophen-2-ylmethyl)amino]propanamide
CID 134041904
2-[2-hydroxyethyl(2-methoxyethyl)amino]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 115613846
2-ethylsulfonyl-N-(2-thiophen-2-ylethyl)acetamide
CID 47207166

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(2-thiophen-2-ylethyl)acetamide (CID 115631915) is 2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(2-thiophen-2-ylethyl)acetamide is C=CCN(CCO)CC(=O)NCCc1cccs1.
What is the InChIKey of 2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is AAPPKACJRNHJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-2-7-15(8-9-16)11-13(17)14-6-5-12-4-3-10-18-12/h2-4,10,16H,1,5-9,11H2,(H,14,17).
What are the key properties of 2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(2-thiophen-2-ylethyl)acetamide?
2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 268.38 g/mol, XLogP of 0.89, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 115631915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).