3-amino-N-(2-phenylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride

C18H21ClN2OS — CID 119674872

IUPAC3-amino-N-(2-phenylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCC(C(=O)Nc2ccccc2Sc2ccccc2)C1
InChIInChI=1S/C18H20N2OS.ClH/c19-14-11-10-13(12-14)18(21)20-16-8-4-5-9-17(16)22-15-6-2-1-3-7-15;/h1-9,13-14H,10-12,19H2,(H,20,21);1H
InChIKeyKPZZFGNEUJXLPH-UHFFFAOYSA-N
MW348.90 g/mol
LogP4.33
Rot. Bonds4

About 3-amino-N-(2-phenylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride

3-amino-N-(2-phenylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119674872) has the molecular formula C18H21ClN2OS and a molecular weight of 348.90 g/mol. Its IUPAC name is 3-amino-N-(2-phenylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-phenylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride
PubChem CID119674872
Molecular FormulaC18H21ClN2OS
Molecular Weight348.90 g/mol
Exact Mass348.11
IUPAC Name3-amino-N-(2-phenylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCC(C(=O)Nc2ccccc2Sc2ccccc2)C1
InChIInChI=1S/C18H20N2OS.ClH/c19-14-11-10-13(12-14)18(21)20-16-8-4-5-9-17(16)22-15-6-2-1-3-7-15;/h1-9,13-14H,10-12,19H2,(H,20,21);1H
InChIKeyKPZZFGNEUJXLPH-UHFFFAOYSA-N
XLogP4.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.90
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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1-phenyl-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide
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3-amino-N-(2-iodophenyl)cyclopentane-1-carboxamide
CID 66030489
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3-amino-N-(2,3-difluorophenyl)cyclopentane-1-carboxamide
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(1R,2S,3R,4R)-3-[(2-phenylsulfanylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-phenylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(2-phenylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride (CID 119674872) is 3-amino-N-(2-phenylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2-phenylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2-phenylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride is Cl.NC1CCC(C(=O)Nc2ccccc2Sc2ccccc2)C1.
What is the InChIKey of 3-amino-N-(2-phenylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is KPZZFGNEUJXLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS.ClH/c19-14-11-10-13(12-14)18(21)20-16-8-4-5-9-17(16)22-15-6-2-1-3-7-15;/h1-9,13-14H,10-12,19H2,(H,20,21);1H.
What are the key properties of 3-amino-N-(2-phenylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-(2-phenylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 348.90 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-phenylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119674872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).