N-(1-aminoethyl)-2-thiophen-2-ylacetamide

C8H12N2OS — CID 173143442

IUPACN-(1-aminoethyl)-2-thiophen-2-ylacetamide
SMILESCC(N)NC(=O)Cc1cccs1
InChIInChI=1S/C8H12N2OS/c1-6(9)10-8(11)5-7-3-2-4-12-7/h2-4,6H,5,9H2,1H3,(H,10,11)
InChIKeyZPCPTZQPIFQQCE-UHFFFAOYSA-N
MW184.26 g/mol
LogP0.71
Rot. Bonds3

About N-(1-aminoethyl)-2-thiophen-2-ylacetamide

N-(1-aminoethyl)-2-thiophen-2-ylacetamide (PubChem CID 173143442) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is N-(1-aminoethyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(1-aminoethyl)-2-thiophen-2-ylacetamide
PubChem CID173143442
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC NameN-(1-aminoethyl)-2-thiophen-2-ylacetamide
SMILESCC(N)NC(=O)Cc1cccs1
InChIInChI=1S/C8H12N2OS/c1-6(9)10-8(11)5-7-3-2-4-12-7/h2-4,6H,5,9H2,1H3,(H,10,11)
InChIKeyZPCPTZQPIFQQCE-UHFFFAOYSA-N
XLogP0.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-1-hydroxypropan-2-yl]-2-thiophen-2-ylacetamide
CID 39086744
N-(1-amino-1-sulfanylidenepropan-2-yl)-2-thiophen-2-ylacetamide
CID 61120272
N-(1-chloropropan-2-yl)-2-thiophen-2-ylacetamide
CID 114299702
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-thiophen-2-ylacetamide
CID 62092047
(2R)-N-ethyl-2-[(2-thiophen-2-ylacetyl)amino]propanamide
CID 8750175
N-[1-(2-methylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 47004762
N-[1-(5-methylfuran-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 47007711
N-[1-(4-bromophenyl)ethyl]-2-thiophen-2-ylacetamide
CID 42999115
N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 94182945
N-benzhydryl-2-thiophen-2-ylacetamide
CID 785978
methyl 2-phenyl-2-[(2-thiophen-2-ylacetyl)amino]acetate
CID 62109356
N-[1-(4-sulfamoylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 18282598

Frequently Asked Questions

What is the IUPAC name of N-(1-aminoethyl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(1-aminoethyl)-2-thiophen-2-ylacetamide (CID 173143442) is N-(1-aminoethyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(1-aminoethyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(1-aminoethyl)-2-thiophen-2-ylacetamide is CC(N)NC(=O)Cc1cccs1.
What is the InChIKey of N-(1-aminoethyl)-2-thiophen-2-ylacetamide?
The InChIKey is ZPCPTZQPIFQQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-6(9)10-8(11)5-7-3-2-4-12-7/h2-4,6H,5,9H2,1H3,(H,10,11).
What are the key properties of N-(1-aminoethyl)-2-thiophen-2-ylacetamide?
N-(1-aminoethyl)-2-thiophen-2-ylacetamide has a molecular weight of 184.26 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminoethyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 173143442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).