N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(4-chlorophenyl)thiophene-2-carboxamide;hydrochloride

C18H20Cl2N2OS — CID 119457422

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-5-(4-chlorophenyl)thiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(NC1CC2CCC(C1)N2)c1ccc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C18H19ClN2OS.ClH/c19-12-3-1-11(2-4-12)16-7-8-17(23-16)18(22)21-15-9-13-5-6-14(10-15)20-13;/h1-4,7-8,13-15,20H,5-6,9-10H2,(H,21,22);1H
InChIKeyUJWNHXGZDKFRGV-UHFFFAOYSA-N
MW383.34 g/mol
LogP4.50
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(4-chlorophenyl)thiophene-2-carboxamide;hydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(4-chlorophenyl)thiophene-2-carboxamide;hydrochloride (PubChem CID 119457422) has the molecular formula C18H20Cl2N2OS and a molecular weight of 383.34 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(4-chlorophenyl)thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-5-(4-chlorophenyl)thiophene-2-carboxamide;hydrochloride
PubChem CID119457422
Molecular FormulaC18H20Cl2N2OS
Molecular Weight383.34 g/mol
Exact Mass382.07
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-5-(4-chlorophenyl)thiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(NC1CC2CCC(C1)N2)c1ccc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C18H19ClN2OS.ClH/c19-12-3-1-11(2-4-12)16-7-8-17(23-16)18(22)21-15-9-13-5-6-14(10-15)20-13;/h1-4,7-8,13-15,20H,5-6,9-10H2,(H,21,22);1H
InChIKeyUJWNHXGZDKFRGV-UHFFFAOYSA-N
XLogP4.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.34
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-chlorophenyl)-N-(2-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 120598957
5-(4-chlorophenyl)-N-piperidin-3-ylthiophene-2-carboxamide
CID 119426767
5-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride
CID 120557411
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(6-chloro-3-pyridinyl)thiophene-2-carboxamide
CID 18535453
5-(4-chlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]thiophene-2-carboxamide
CID 111661586
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(4-carbamoylphenyl)thiophene-2-carboxamide
CID 18535096
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119457021
5-(4-chlorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide
CID 18180934
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,5-dichlorothiophene-3-carboxamide
CID 103805907
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,6-dichloro-1-benzothiophene-2-carboxamide
CID 119458580
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[(4-chlorobenzoyl)amino]benzamide;hydrochloride
CID 119455037
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chlorofuran-2-carboxamide
CID 61237544

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(4-chlorophenyl)thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(4-chlorophenyl)thiophene-2-carboxamide;hydrochloride (CID 119457422) is N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(4-chlorophenyl)thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(4-chlorophenyl)thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(4-chlorophenyl)thiophene-2-carboxamide;hydrochloride is Cl.O=C(NC1CC2CCC(C1)N2)c1ccc(-c2ccc(Cl)cc2)s1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(4-chlorophenyl)thiophene-2-carboxamide;hydrochloride?
The InChIKey is UJWNHXGZDKFRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2OS.ClH/c19-12-3-1-11(2-4-12)16-7-8-17(23-16)18(22)21-15-9-13-5-6-14(10-15)20-13;/h1-4,7-8,13-15,20H,5-6,9-10H2,(H,21,22);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(4-chlorophenyl)thiophene-2-carboxamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(4-chlorophenyl)thiophene-2-carboxamide;hydrochloride has a molecular weight of 383.34 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(4-chlorophenyl)thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119457422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).