N-[2-(4-aminophenyl)ethyl]-4-thiophen-2-ylbutanamide;hydrochloride

C16H21ClN2OS — CID 119549554

IUPACN-[2-(4-aminophenyl)ethyl]-4-thiophen-2-ylbutanamide;hydrochloride
SMILESCl.Nc1ccc(CCNC(=O)CCCc2cccs2)cc1
InChIInChI=1S/C16H20N2OS.ClH/c17-14-8-6-13(7-9-14)10-11-18-16(19)5-1-3-15-4-2-12-20-15;/h2,4,6-9,12H,1,3,5,10-11,17H2,(H,18,19);1H
InChIKeyHQPFXKWWEPJOAM-UHFFFAOYSA-N
MW324.88 g/mol
LogP3.43
Rot. Bonds7

About N-[2-(4-aminophenyl)ethyl]-4-thiophen-2-ylbutanamide;hydrochloride

N-[2-(4-aminophenyl)ethyl]-4-thiophen-2-ylbutanamide;hydrochloride (PubChem CID 119549554) has the molecular formula C16H21ClN2OS and a molecular weight of 324.88 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-4-thiophen-2-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-4-thiophen-2-ylbutanamide;hydrochloride
PubChem CID119549554
Molecular FormulaC16H21ClN2OS
Molecular Weight324.88 g/mol
Exact Mass324.11
IUPAC NameN-[2-(4-aminophenyl)ethyl]-4-thiophen-2-ylbutanamide;hydrochloride
SMILESCl.Nc1ccc(CCNC(=O)CCCc2cccs2)cc1
InChIInChI=1S/C16H20N2OS.ClH/c17-14-8-6-13(7-9-14)10-11-18-16(19)5-1-3-15-4-2-12-20-15;/h2,4,6-9,12H,1,3,5,10-11,17H2,(H,18,19);1H
InChIKeyHQPFXKWWEPJOAM-UHFFFAOYSA-N
XLogP3.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.88
LogP ≤ 53.43
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'}

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Related Compounds

4-hydroxy-N-(2-thiophen-2-ylethyl)butanamide
CID 13185709
N-(3-aminobutyl)-4-thiophen-2-ylbutanamide
CID 63253791
6-[2-(4-aminophenyl)ethylamino]-6-oxohexanoic acid
CID 110483471
N-hexyl-4-thiophen-2-ylbutanamide
CID 134055852
N-(4-amino-4-hydroxyiminobutyl)-4-thiophen-2-ylbutanamide
CID 76953161
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-thiophen-2-ylpentanamide
CID 110615618
N-pent-4-ynyl-4-thiophen-2-ylbutanamide
CID 103708912
N-[[4-(bromomethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 107233721
N-[2-(4-methylsulfonylphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 110790640
N-[2-(4-aminophenyl)ethyl]-3-phenylpropanamide
CID 39367183
N-[2-(methylamino)ethyl]-6-thiophen-2-ylhexanamide
CID 119500853
5-oxo-N-(3-thiophen-2-ylpropyl)hexanamide
CID 144920925

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-4-thiophen-2-ylbutanamide;hydrochloride?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-4-thiophen-2-ylbutanamide;hydrochloride (CID 119549554) is N-[2-(4-aminophenyl)ethyl]-4-thiophen-2-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-4-thiophen-2-ylbutanamide;hydrochloride?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-4-thiophen-2-ylbutanamide;hydrochloride is Cl.Nc1ccc(CCNC(=O)CCCc2cccs2)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-4-thiophen-2-ylbutanamide;hydrochloride?
The InChIKey is HQPFXKWWEPJOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS.ClH/c17-14-8-6-13(7-9-14)10-11-18-16(19)5-1-3-15-4-2-12-20-15;/h2,4,6-9,12H,1,3,5,10-11,17H2,(H,18,19);1H.
What are the key properties of N-[2-(4-aminophenyl)ethyl]-4-thiophen-2-ylbutanamide;hydrochloride?
N-[2-(4-aminophenyl)ethyl]-4-thiophen-2-ylbutanamide;hydrochloride has a molecular weight of 324.88 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-4-thiophen-2-ylbutanamide;hydrochloride is sourced from PubChem (CID 119549554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).