2-[ethyl(3-hydroxypropyl)amino]-N-(2-thiophen-2-ylethyl)acetamide

C13H22N2O2S — CID 115666347

IUPAC2-[ethyl(3-hydroxypropyl)amino]-N-(2-thiophen-2-ylethyl)acetamide
SMILESCCN(CCCO)CC(=O)NCCc1cccs1
InChIInChI=1S/C13H22N2O2S/c1-2-15(8-4-9-16)11-13(17)14-7-6-12-5-3-10-18-12/h3,5,10,16H,2,4,6-9,11H2,1H3,(H,14,17)
InChIKeyJSSPBEWXXQXVMC-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.11
Rot. Bonds9

About 2-[ethyl(3-hydroxypropyl)amino]-N-(2-thiophen-2-ylethyl)acetamide

2-[ethyl(3-hydroxypropyl)amino]-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 115666347) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-[ethyl(3-hydroxypropyl)amino]-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[ethyl(3-hydroxypropyl)amino]-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID115666347
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name2-[ethyl(3-hydroxypropyl)amino]-N-(2-thiophen-2-ylethyl)acetamide
SMILESCCN(CCCO)CC(=O)NCCc1cccs1
InChIInChI=1S/C13H22N2O2S/c1-2-15(8-4-9-16)11-13(17)14-7-6-12-5-3-10-18-12/h3,5,10,16H,2,4,6-9,11H2,1H3,(H,14,17)
InChIKeyJSSPBEWXXQXVMC-UHFFFAOYSA-N
XLogP1.11
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[ethyl(3-hydroxypropyl)amino]-N-(2-thiophen-2-ylethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[ethyl(3-hydroxypropyl)amino]-N-(2-phenylethyl)acetamide
CID 115666394
2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(2-thiophen-2-ylethyl)acetamide
CID 115631915
4-hydroxy-N-(2-thiophen-2-ylethyl)butanamide
CID 13185709
2-hydroxy-N-(2-thiophen-2-ylethyl)acetamide
CID 13454159
2-ethylsulfonyl-N-(2-thiophen-2-ylethyl)acetamide
CID 47207166
4-[ethyl(thiophen-2-ylmethyl)amino]butan-1-ol
CID 61437450
methyl 4-[methyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]butanoate
CID 62012890
methyl 2-[benzyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetate
CID 51091360
N-benzyl-2-[ethyl(3-hydroxypropyl)amino]acetamide
CID 115666155
3-bromo-N-(2-thiophen-2-ylethyl)propanamide
CID 82109303
2-[ethyl(methyl)amino]-N-(2-thiophen-2-ylethyl)butanamide
CID 131916129
2-[ethyl(3-hydroxypropyl)amino]-N-(2-methoxyethyl)acetamide
CID 115666547

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(3-hydroxypropyl)amino]-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-[ethyl(3-hydroxypropyl)amino]-N-(2-thiophen-2-ylethyl)acetamide (CID 115666347) is 2-[ethyl(3-hydroxypropyl)amino]-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[ethyl(3-hydroxypropyl)amino]-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-[ethyl(3-hydroxypropyl)amino]-N-(2-thiophen-2-ylethyl)acetamide is CCN(CCCO)CC(=O)NCCc1cccs1.
What is the InChIKey of 2-[ethyl(3-hydroxypropyl)amino]-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is JSSPBEWXXQXVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-2-15(8-4-9-16)11-13(17)14-7-6-12-5-3-10-18-12/h3,5,10,16H,2,4,6-9,11H2,1H3,(H,14,17).
What are the key properties of 2-[ethyl(3-hydroxypropyl)amino]-N-(2-thiophen-2-ylethyl)acetamide?
2-[ethyl(3-hydroxypropyl)amino]-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 270.40 g/mol, XLogP of 1.11, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(3-hydroxypropyl)amino]-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 115666347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).