N-[2-(4-aminophenyl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide;hydrochloride

C19H25ClN2OS — CID 119548840

IUPACN-[2-(4-aminophenyl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide;hydrochloride
SMILESCl.Nc1ccc(CCNC(=O)C2(c3cccs3)CCCCC2)cc1
InChIInChI=1S/C19H24N2OS.ClH/c20-16-8-6-15(7-9-16)10-13-21-18(22)19(11-2-1-3-12-19)17-5-4-14-23-17;/h4-9,14H,1-3,10-13,20H2,(H,21,22);1H
InChIKeyZPIIWHRWWJLIEO-UHFFFAOYSA-N
MW364.94 g/mol
LogP4.31
Rot. Bonds5

About N-[2-(4-aminophenyl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide;hydrochloride

N-[2-(4-aminophenyl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide;hydrochloride (PubChem CID 119548840) has the molecular formula C19H25ClN2OS and a molecular weight of 364.94 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide;hydrochloride
PubChem CID119548840
Molecular FormulaC19H25ClN2OS
Molecular Weight364.94 g/mol
Exact Mass364.14
IUPAC NameN-[2-(4-aminophenyl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide;hydrochloride
SMILESCl.Nc1ccc(CCNC(=O)C2(c3cccs3)CCCCC2)cc1
InChIInChI=1S/C19H24N2OS.ClH/c20-16-8-6-15(7-9-16)10-13-21-18(22)19(11-2-1-3-12-19)17-5-4-14-23-17;/h4-9,14H,1-3,10-13,20H2,(H,21,22);1H
InChIKeyZPIIWHRWWJLIEO-UHFFFAOYSA-N
XLogP4.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.94
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-phenylpyrimidin-5-yl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 91813402
6-[(1-thiophen-2-ylcyclohexanecarbonyl)amino]hexanoic acid
CID 119220064
N-[2-(4-aminophenyl)ethyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119548194
N-(2-amino-2-ethylbutyl)-1-thiophen-2-ylcyclohexane-1-carboxamide
CID 119642271
N-[2-(4-aminophenyl)ethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 119549251
N-(3-hydroxy-3-phenylpropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 71782253
N-[(3R)-3-hydroxy-3-phenylpropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 97038575
N-[2-(4-aminophenyl)ethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide;hydrochloride
CID 119547553
5-[[(1-thiophen-2-ylcyclohexanecarbonyl)amino]methyl]furan-2-carboxylic acid
CID 119246078
N-[(2-hydroxycyclopentyl)methyl]-1-thiophen-2-ylcyclohexane-1-carboxamide
CID 111471238
N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 121019439
N-[2-(4-aminophenyl)ethyl]-1-(3-bromophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119548478

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide;hydrochloride (CID 119548840) is N-[2-(4-aminophenyl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide;hydrochloride is Cl.Nc1ccc(CCNC(=O)C2(c3cccs3)CCCCC2)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide;hydrochloride?
The InChIKey is ZPIIWHRWWJLIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS.ClH/c20-16-8-6-15(7-9-16)10-13-21-18(22)19(11-2-1-3-12-19)17-5-4-14-23-17;/h4-9,14H,1-3,10-13,20H2,(H,21,22);1H.
What are the key properties of N-[2-(4-aminophenyl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide;hydrochloride?
N-[2-(4-aminophenyl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide;hydrochloride has a molecular weight of 364.94 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119548840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).