3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-phenylpropanamide;hydrochloride

C16H21ClN2OS — CID 119727860

IUPAC3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-phenylpropanamide;hydrochloride
SMILESCCc1ccc(CNC(=O)C(CN)c2ccccc2)s1.Cl
InChIInChI=1S/C16H20N2OS.ClH/c1-2-13-8-9-14(20-13)11-18-16(19)15(10-17)12-6-4-3-5-7-12;/h3-9,15H,2,10-11,17H2,1H3,(H,18,19);1H
InChIKeyZIPBPXDYPQWNOQ-UHFFFAOYSA-N
MW324.88 g/mol
LogP3.09
Rot. Bonds6

About 3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-phenylpropanamide;hydrochloride

3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-phenylpropanamide;hydrochloride (PubChem CID 119727860) has the molecular formula C16H21ClN2OS and a molecular weight of 324.88 g/mol. Its IUPAC name is 3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-phenylpropanamide;hydrochloride
PubChem CID119727860
Molecular FormulaC16H21ClN2OS
Molecular Weight324.88 g/mol
Exact Mass324.11
IUPAC Name3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-phenylpropanamide;hydrochloride
SMILESCCc1ccc(CNC(=O)C(CN)c2ccccc2)s1.Cl
InChIInChI=1S/C16H20N2OS.ClH/c1-2-13-8-9-14(20-13)11-18-16(19)15(10-17)12-6-4-3-5-7-12;/h3-9,15H,2,10-11,17H2,1H3,(H,18,19);1H
InChIKeyZIPBPXDYPQWNOQ-UHFFFAOYSA-N
XLogP3.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.88
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119727868
3-amino-N-[(5-methylfuran-2-yl)methyl]-2-phenylpropanamide
CID 62879092
(2S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]butanamide;hydrochloride
CID 119291761
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-phenylpropanamide;hydrochloride
CID 119735845
N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-phenylbutanamide
CID 121134118
3-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-2-phenylpropanamide
CID 119718321
3-amino-N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylpropanamide;hydrochloride
CID 119742337
(2S,3S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]-3-methylpentanamide
CID 103832951
(2S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]pentanamide
CID 106011877
3-amino-N-[2-oxo-2-(propylamino)ethyl]-2-phenylpropanamide;hydrochloride
CID 119689808
3-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-phenylpropanamide;dihydrochloride
CID 119855008
3-amino-2-phenyl-N-(2-phenylethyl)propanamide
CID 62879042

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-phenylpropanamide;hydrochloride (CID 119727860) is 3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-phenylpropanamide;hydrochloride is CCc1ccc(CNC(=O)C(CN)c2ccccc2)s1.Cl.
What is the InChIKey of 3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-phenylpropanamide;hydrochloride?
The InChIKey is ZIPBPXDYPQWNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS.ClH/c1-2-13-8-9-14(20-13)11-18-16(19)15(10-17)12-6-4-3-5-7-12;/h3-9,15H,2,10-11,17H2,1H3,(H,18,19);1H.
What are the key properties of 3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-phenylpropanamide;hydrochloride?
3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-phenylpropanamide;hydrochloride has a molecular weight of 324.88 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119727860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).