2-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-2-thiophen-2-ylacetamide

C16H17N3OS — CID 115286741

IUPAC2-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-2-thiophen-2-ylacetamide
SMILESCCN(Cc1ccccc1C#N)C(=O)C(N)c1cccs1
InChIInChI=1S/C16H17N3OS/c1-2-19(11-13-7-4-3-6-12(13)10-17)16(20)15(18)14-8-5-9-21-14/h3-9,15H,2,11,18H2,1H3
InChIKeyAVPRAGYVTIEMJV-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.67
Rot. Bonds5

About 2-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-2-thiophen-2-ylacetamide

2-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-2-thiophen-2-ylacetamide (PubChem CID 115286741) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-2-thiophen-2-ylacetamide
PubChem CID115286741
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name2-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-2-thiophen-2-ylacetamide
SMILESCCN(Cc1ccccc1C#N)C(=O)C(N)c1cccs1
InChIInChI=1S/C16H17N3OS/c1-2-19(11-13-7-4-3-6-12(13)10-17)16(20)15(18)14-8-5-9-21-14/h3-9,15H,2,11,18H2,1H3
InChIKeyAVPRAGYVTIEMJV-UHFFFAOYSA-N
XLogP2.67
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-2-thiophen-2-ylacetamide 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-chloro-N-[(2-cyanophenyl)methyl]-N-ethylpropanamide
CID 54875994
2-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-5-methoxypentanamide
CID 81071356
ethyl N-[(2-cyanophenyl)methyl]-N-ethylcarbamate
CID 61355544
2-amino-N-ethyl-2-thiophen-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 113279196
4-amino-N-[(2-cyanophenyl)methyl]-N-ethylbenzamide
CID 60962959
2-amino-N-benzyl-N-propyl-2-thiophen-2-ylacetamide
CID 115286106
2-amino-N,N-bis(2-amino-2-oxoethyl)-2-thiophen-2-ylacetamide
CID 113279235
2-amino-N-[2-(dimethylamino)ethyl]-N-propyl-2-thiophen-2-ylacetamide
CID 113279213
2-amino-N-(cyclobutylmethyl)-N-ethyl-2-thiophen-2-ylacetamide
CID 107398508
5-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-4-methylpentanamide
CID 82011067
2-[(2-cyanophenyl)methyl-methylamino]-N,N-diethylacetamide
CID 60693832
4-amino-N-[(2-cyanophenyl)methyl]-N-ethylcyclohexane-1-carboxamide
CID 60963774

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-2-thiophen-2-ylacetamide?
The IUPAC name of 2-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-2-thiophen-2-ylacetamide (CID 115286741) is 2-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-2-thiophen-2-ylacetamide?
The canonical SMILES for 2-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-2-thiophen-2-ylacetamide is CCN(Cc1ccccc1C#N)C(=O)C(N)c1cccs1.
What is the InChIKey of 2-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-2-thiophen-2-ylacetamide?
The InChIKey is AVPRAGYVTIEMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-2-19(11-13-7-4-3-6-12(13)10-17)16(20)15(18)14-8-5-9-21-14/h3-9,15H,2,11,18H2,1H3.
What are the key properties of 2-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-2-thiophen-2-ylacetamide?
2-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-2-thiophen-2-ylacetamide has a molecular weight of 299.40 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-2-thiophen-2-ylacetamide is sourced from PubChem (CID 115286741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).