2-(3-aminophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide

C16H20N2OS — CID 62499193

IUPAC2-(3-aminophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
SMILESCC(C)C(NC(=O)Cc1cccc(N)c1)c1cccs1
InChIInChI=1S/C16H20N2OS/c1-11(2)16(14-7-4-8-20-14)18-15(19)10-12-5-3-6-13(17)9-12/h3-9,11,16H,10,17H2,1-2H3,(H,18,19)
InChIKeyKFNPXAOQEOWMKQ-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.39
Rot. Bonds5

About 2-(3-aminophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide

2-(3-aminophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide (PubChem CID 62499193) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
PubChem CID62499193
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name2-(3-aminophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
SMILESCC(C)C(NC(=O)Cc1cccc(N)c1)c1cccs1
InChIInChI=1S/C16H20N2OS/c1-11(2)16(14-7-4-8-20-14)18-15(19)10-12-5-3-6-13(17)9-12/h3-9,11,16H,10,17H2,1-2H3,(H,18,19)
InChIKeyKFNPXAOQEOWMKQ-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 43709161
2-(3-aminophenyl)-N-(1-thiophen-2-ylbutyl)acetamide
CID 62498546
2-(3-aminophenyl)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 94459377
2-[[2-(3-aminophenyl)acetyl]amino]-3-methylbutanamide
CID 106343741
2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 63681207
methyl 2-[[2-(3-aminophenyl)acetyl]amino]-3-methylbutanoate
CID 55083996
2-(4-aminophenyl)sulfanyl-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 43298965
2-(3-aminophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)acetamide
CID 113484647
2-(4-aminophenyl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 81408318
1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea
CID 47023834
2-[[2-(3-aminophenyl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 65350441
2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 7447508

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide?
The IUPAC name of 2-(3-aminophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide (CID 62499193) is 2-(3-aminophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide?
The canonical SMILES for 2-(3-aminophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide is CC(C)C(NC(=O)Cc1cccc(N)c1)c1cccs1.
What is the InChIKey of 2-(3-aminophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide?
The InChIKey is KFNPXAOQEOWMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-11(2)16(14-7-4-8-20-14)18-15(19)10-12-5-3-6-13(17)9-12/h3-9,11,16H,10,17H2,1-2H3,(H,18,19).
What are the key properties of 2-(3-aminophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide?
2-(3-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-(3-aminophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide is sourced from PubChem (CID 62499193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).