N-(2-ethylsulfanylphenyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride

C13H17ClN2OS — CID 154915150

IUPACN-(2-ethylsulfanylphenyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCCSc1ccccc1NC(=O)C1C=CCN1.Cl
InChIInChI=1S/C13H16N2OS.ClH/c1-2-17-12-8-4-3-6-10(12)15-13(16)11-7-5-9-14-11;/h3-8,11,14H,2,9H2,1H3,(H,15,16);1H
InChIKeyCBQBQKZMAIXKQA-UHFFFAOYSA-N
MW284.81 g/mol
LogP2.69
Rot. Bonds4

About N-(2-ethylsulfanylphenyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride

N-(2-ethylsulfanylphenyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride (PubChem CID 154915150) has the molecular formula C13H17ClN2OS and a molecular weight of 284.81 g/mol. Its IUPAC name is N-(2-ethylsulfanylphenyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-ethylsulfanylphenyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
PubChem CID154915150
Molecular FormulaC13H17ClN2OS
Molecular Weight284.81 g/mol
Exact Mass284.08
IUPAC NameN-(2-ethylsulfanylphenyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCCSc1ccccc1NC(=O)C1C=CCN1.Cl
InChIInChI=1S/C13H16N2OS.ClH/c1-2-17-12-8-4-3-6-10(12)15-13(16)11-7-5-9-14-11;/h3-8,11,14H,2,9H2,1H3,(H,15,16);1H
InChIKeyCBQBQKZMAIXKQA-UHFFFAOYSA-N
XLogP2.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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N-(2-ethylsulfanylphenyl)oxolane-3-carboxamide
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2-amino-N-(2-ethylsulfanylphenyl)cyclohexane-1-carboxamide
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N-(2-ethylsulfanylphenyl)-2-methylsulfanylbenzamide
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CID 7463995
2-bromo-N-(2-ethylsulfanylphenyl)propanamide
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2-(ethylamino)-N-(2-ethylsulfanylphenyl)benzamide
CID 63107839
(2R)-N-(2-ethylsulfanylphenyl)-1-methylsulfonylpiperidine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylphenyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-ethylsulfanylphenyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride (CID 154915150) is N-(2-ethylsulfanylphenyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-ethylsulfanylphenyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-ethylsulfanylphenyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride is CCSc1ccccc1NC(=O)C1C=CCN1.Cl.
What is the InChIKey of N-(2-ethylsulfanylphenyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride?
The InChIKey is CBQBQKZMAIXKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS.ClH/c1-2-17-12-8-4-3-6-10(12)15-13(16)11-7-5-9-14-11;/h3-8,11,14H,2,9H2,1H3,(H,15,16);1H.
What are the key properties of N-(2-ethylsulfanylphenyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride?
N-(2-ethylsulfanylphenyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride has a molecular weight of 284.81 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylphenyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 154915150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).