2-(4-aminophenyl)-3-thiophen-2-ylpropanamide

C13H14N2OS — CID 82020971

IUPAC2-(4-aminophenyl)-3-thiophen-2-ylpropanamide
SMILESNC(=O)C(Cc1cccs1)c1ccc(N)cc1
InChIInChI=1S/C13H14N2OS/c14-10-5-3-9(4-6-10)12(13(15)16)8-11-2-1-7-17-11/h1-7,12H,8,14H2,(H2,15,16)
InChIKeyJDRVFJFGJIXPCC-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.14
Rot. Bonds4

About 2-(4-aminophenyl)-3-thiophen-2-ylpropanamide

2-(4-aminophenyl)-3-thiophen-2-ylpropanamide (PubChem CID 82020971) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 2-(4-aminophenyl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-3-thiophen-2-ylpropanamide
PubChem CID82020971
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name2-(4-aminophenyl)-3-thiophen-2-ylpropanamide
SMILESNC(=O)C(Cc1cccs1)c1ccc(N)cc1
InChIInChI=1S/C13H14N2OS/c14-10-5-3-9(4-6-10)12(13(15)16)8-11-2-1-7-17-11/h1-7,12H,8,14H2,(H2,15,16)
InChIKeyJDRVFJFGJIXPCC-UHFFFAOYSA-N
XLogP2.14
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-3-thiophen-2-ylpropanamide?
The IUPAC name of 2-(4-aminophenyl)-3-thiophen-2-ylpropanamide (CID 82020971) is 2-(4-aminophenyl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 2-(4-aminophenyl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for 2-(4-aminophenyl)-3-thiophen-2-ylpropanamide is NC(=O)C(Cc1cccs1)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-3-thiophen-2-ylpropanamide?
The InChIKey is JDRVFJFGJIXPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c14-10-5-3-9(4-6-10)12(13(15)16)8-11-2-1-7-17-11/h1-7,12H,8,14H2,(H2,15,16).
What are the key properties of 2-(4-aminophenyl)-3-thiophen-2-ylpropanamide?
2-(4-aminophenyl)-3-thiophen-2-ylpropanamide has a molecular weight of 246.34 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 82020971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).