3-amino-N-(2-cyclopentylsulfanylphenyl)-3-phenylpropanamide;hydrochloride

C20H25ClN2OS — CID 119950014

IUPAC3-amino-N-(2-cyclopentylsulfanylphenyl)-3-phenylpropanamide;hydrochloride
SMILESCl.NC(CC(=O)Nc1ccccc1SC1CCCC1)c1ccccc1
InChIInChI=1S/C20H24N2OS.ClH/c21-17(15-8-2-1-3-9-15)14-20(23)22-18-12-6-7-13-19(18)24-16-10-4-5-11-16;/h1-3,6-9,12-13,16-17H,4-5,10-11,14,21H2,(H,22,23);1H
InChIKeyQQKCZOIAAWBGDF-UHFFFAOYSA-N
MW376.95 g/mol
LogP5.17
Rot. Bonds6

About 3-amino-N-(2-cyclopentylsulfanylphenyl)-3-phenylpropanamide;hydrochloride

3-amino-N-(2-cyclopentylsulfanylphenyl)-3-phenylpropanamide;hydrochloride (PubChem CID 119950014) has the molecular formula C20H25ClN2OS and a molecular weight of 376.95 g/mol. Its IUPAC name is 3-amino-N-(2-cyclopentylsulfanylphenyl)-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-cyclopentylsulfanylphenyl)-3-phenylpropanamide;hydrochloride
PubChem CID119950014
Molecular FormulaC20H25ClN2OS
Molecular Weight376.95 g/mol
Exact Mass376.14
IUPAC Name3-amino-N-(2-cyclopentylsulfanylphenyl)-3-phenylpropanamide;hydrochloride
SMILESCl.NC(CC(=O)Nc1ccccc1SC1CCCC1)c1ccccc1
InChIInChI=1S/C20H24N2OS.ClH/c21-17(15-8-2-1-3-9-15)14-20(23)22-18-12-6-7-13-19(18)24-16-10-4-5-11-16;/h1-3,6-9,12-13,16-17H,4-5,10-11,14,21H2,(H,22,23);1H
InChIKeyQQKCZOIAAWBGDF-UHFFFAOYSA-N
XLogP5.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.95
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(2-cyclopentylsulfanylphenyl)cyclobutanecarboxamide
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2-amino-N-(2-cyclopentylsulfanylphenyl)-3-methylpentanamide
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N-(2-cyclopentylsulfanylphenyl)-2-(3-fluorophenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-cyclopentylsulfanylphenyl)-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-(2-cyclopentylsulfanylphenyl)-3-phenylpropanamide;hydrochloride (CID 119950014) is 3-amino-N-(2-cyclopentylsulfanylphenyl)-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2-cyclopentylsulfanylphenyl)-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2-cyclopentylsulfanylphenyl)-3-phenylpropanamide;hydrochloride is Cl.NC(CC(=O)Nc1ccccc1SC1CCCC1)c1ccccc1.
What is the InChIKey of 3-amino-N-(2-cyclopentylsulfanylphenyl)-3-phenylpropanamide;hydrochloride?
The InChIKey is QQKCZOIAAWBGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS.ClH/c21-17(15-8-2-1-3-9-15)14-20(23)22-18-12-6-7-13-19(18)24-16-10-4-5-11-16;/h1-3,6-9,12-13,16-17H,4-5,10-11,14,21H2,(H,22,23);1H.
What are the key properties of 3-amino-N-(2-cyclopentylsulfanylphenyl)-3-phenylpropanamide;hydrochloride?
3-amino-N-(2-cyclopentylsulfanylphenyl)-3-phenylpropanamide;hydrochloride has a molecular weight of 376.95 g/mol, XLogP of 5.17, 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-cyclopentylsulfanylphenyl)-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119950014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).