N-(2-aminoethyl)-N-(2-phenylethyl)-2-thiophen-3-ylacetamide

C16H20N2OS — CID 120885888

IUPACN-(2-aminoethyl)-N-(2-phenylethyl)-2-thiophen-3-ylacetamide
SMILESNCCN(CCc1ccccc1)C(=O)Cc1ccsc1
InChIInChI=1S/C16H20N2OS/c17-8-10-18(9-6-14-4-2-1-3-5-14)16(19)12-15-7-11-20-13-15/h1-5,7,11,13H,6,8-10,12,17H2
InChIKeyJOIILARQSRSTOV-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.32
Rot. Bonds7

About N-(2-aminoethyl)-N-(2-phenylethyl)-2-thiophen-3-ylacetamide

N-(2-aminoethyl)-N-(2-phenylethyl)-2-thiophen-3-ylacetamide (PubChem CID 120885888) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2-phenylethyl)-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2-phenylethyl)-2-thiophen-3-ylacetamide
PubChem CID120885888
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-(2-aminoethyl)-N-(2-phenylethyl)-2-thiophen-3-ylacetamide
SMILESNCCN(CCc1ccccc1)C(=O)Cc1ccsc1
InChIInChI=1S/C16H20N2OS/c17-8-10-18(9-6-14-4-2-1-3-5-14)16(19)12-15-7-11-20-13-15/h1-5,7,11,13H,6,8-10,12,17H2
InChIKeyJOIILARQSRSTOV-UHFFFAOYSA-N
XLogP2.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2-(4-chlorophenyl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120887035
N-(2-aminoethyl)-2-(4-ethylphenyl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120886907
N-(2-aminoethyl)-2-(2-fluorophenyl)-N-(2-phenylethyl)acetamide
CID 120885714
N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412
N-(2-aminoethyl)-2-(2,6-difluorophenyl)-N-(2-phenylethyl)acetamide
CID 120886814
N-benzyl-N-(2-hydroxyethyl)-2-thiophen-3-ylacetamide
CID 60653994
N-(2-aminoethyl)-2-(2-chlorophenyl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120885855
N-(2-aminoethyl)-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)acetamide
CID 120884702
N-(2-aminoethyl)-N-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
CID 120886021
N-(2-aminoethyl)-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120884701
N-(2-aminoethyl)-2-(1,3-benzodioxol-5-yl)-N-(2-phenylethyl)acetamide
CID 120886994
N-(2-aminoethyl)-3-methoxy-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886289

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2-phenylethyl)-2-thiophen-3-ylacetamide?
The IUPAC name of N-(2-aminoethyl)-N-(2-phenylethyl)-2-thiophen-3-ylacetamide (CID 120885888) is N-(2-aminoethyl)-N-(2-phenylethyl)-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2-phenylethyl)-2-thiophen-3-ylacetamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2-phenylethyl)-2-thiophen-3-ylacetamide is NCCN(CCc1ccccc1)C(=O)Cc1ccsc1.
What is the InChIKey of N-(2-aminoethyl)-N-(2-phenylethyl)-2-thiophen-3-ylacetamide?
The InChIKey is JOIILARQSRSTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c17-8-10-18(9-6-14-4-2-1-3-5-14)16(19)12-15-7-11-20-13-15/h1-5,7,11,13H,6,8-10,12,17H2.
What are the key properties of N-(2-aminoethyl)-N-(2-phenylethyl)-2-thiophen-3-ylacetamide?
N-(2-aminoethyl)-N-(2-phenylethyl)-2-thiophen-3-ylacetamide has a molecular weight of 288.42 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2-phenylethyl)-2-thiophen-3-ylacetamide is sourced from PubChem (CID 120885888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).