2-(4-aminophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide

C16H20N2OS — CID 43709161

IUPAC2-(4-aminophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
SMILESCC(C)C(NC(=O)Cc1ccc(N)cc1)c1cccs1
InChIInChI=1S/C16H20N2OS/c1-11(2)16(14-4-3-9-20-14)18-15(19)10-12-5-7-13(17)8-6-12/h3-9,11,16H,10,17H2,1-2H3,(H,18,19)
InChIKeyRBIMWYSVYYMROI-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.39
Rot. Bonds5

About 2-(4-aminophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide

2-(4-aminophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide (PubChem CID 43709161) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
PubChem CID43709161
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name2-(4-aminophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
SMILESCC(C)C(NC(=O)Cc1ccc(N)cc1)c1cccs1
InChIInChI=1S/C16H20N2OS/c1-11(2)16(14-4-3-9-20-14)18-15(19)10-12-5-7-13(17)8-6-12/h3-9,11,16H,10,17H2,1-2H3,(H,18,19)
InChIKeyRBIMWYSVYYMROI-UHFFFAOYSA-N
XLogP3.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(4-aminophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)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-(4-aminophenyl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 81408318
2-(3-aminophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 62499193
2-(4-aminophenyl)sulfanyl-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 43298965
2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 63681207
1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea
CID 47023834
2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 43709179
(2S)-2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 79024579
5-amino-N-(2-methyl-1-thiophen-2-ylpropyl)hexanamide
CID 82848158
2-[(2-methylpropan-2-yl)oxy]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 112604514
2-(1-aminocyclopentyl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 64685035
3-(3,5-dimethoxyphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide
CID 46628604
3-(1,3-benzodioxol-5-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide
CID 46421676

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide (CID 43709161) is 2-(4-aminophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide is CC(C)C(NC(=O)Cc1ccc(N)cc1)c1cccs1.
What is the InChIKey of 2-(4-aminophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide?
The InChIKey is RBIMWYSVYYMROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-11(2)16(14-4-3-9-20-14)18-15(19)10-12-5-7-13(17)8-6-12/h3-9,11,16H,10,17H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-aminophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide?
2-(4-aminophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide has a molecular weight of 288.42 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide is sourced from PubChem (CID 43709161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).