3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-phenylpropanamide;hydrochloride

C15H18Cl2N2OS — CID 119735845

IUPAC3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-phenylpropanamide;hydrochloride
SMILESCl.NCC(C(=O)NCCc1ccc(Cl)s1)c1ccccc1
InChIInChI=1S/C15H17ClN2OS.ClH/c16-14-7-6-12(20-14)8-9-18-15(19)13(10-17)11-4-2-1-3-5-11;/h1-7,13H,8-10,17H2,(H,18,19);1H
InChIKeyIMLTVIVIPZITJS-UHFFFAOYSA-N
MW345.30 g/mol
LogP3.22
Rot. Bonds6

About 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-phenylpropanamide;hydrochloride

3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-phenylpropanamide;hydrochloride (PubChem CID 119735845) has the molecular formula C15H18Cl2N2OS and a molecular weight of 345.30 g/mol. Its IUPAC name is 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-phenylpropanamide;hydrochloride
PubChem CID119735845
Molecular FormulaC15H18Cl2N2OS
Molecular Weight345.30 g/mol
Exact Mass344.05
IUPAC Name3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-phenylpropanamide;hydrochloride
SMILESCl.NCC(C(=O)NCCc1ccc(Cl)s1)c1ccccc1
InChIInChI=1S/C15H17ClN2OS.ClH/c16-14-7-6-12(20-14)8-9-18-15(19)13(10-17)11-4-2-1-3-5-11;/h1-7,13H,8-10,17H2,(H,18,19);1H
InChIKeyIMLTVIVIPZITJS-UHFFFAOYSA-N
XLogP3.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.30
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-phenylpropanamide;hydrochloride 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

3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-phenylpropanamide
CID 103809470
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119950206
3-amino-2-phenyl-N-(2-phenylethyl)propanamide
CID 62879042
(2S)-2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]propanamide
CID 103630177
2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide;hydrochloride
CID 119296190
3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-phenylpropanamide;hydrochloride
CID 119727860
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylsulfanylpropanamide
CID 86996141
2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxypropanamide
CID 115180056
2-(5-chlorothiophen-2-yl)ethylcarbamic acid
CID 115171101
3-amino-N-[2-(2-fluorophenyl)ethyl]-2-phenylpropanamide
CID 62877979
3-amino-N-[2-(4-hydroxyphenyl)ethyl]-2-phenylpropanamide
CID 62878017
3-amino-N-[2-oxo-2-(propylamino)ethyl]-2-phenylpropanamide;hydrochloride
CID 119689808

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-phenylpropanamide;hydrochloride (CID 119735845) is 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-phenylpropanamide;hydrochloride is Cl.NCC(C(=O)NCCc1ccc(Cl)s1)c1ccccc1.
What is the InChIKey of 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-phenylpropanamide;hydrochloride?
The InChIKey is IMLTVIVIPZITJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS.ClH/c16-14-7-6-12(20-14)8-9-18-15(19)13(10-17)11-4-2-1-3-5-11;/h1-7,13H,8-10,17H2,(H,18,19);1H.
What are the key properties of 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-phenylpropanamide;hydrochloride?
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-phenylpropanamide;hydrochloride has a molecular weight of 345.30 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119735845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).