5-(4-chlorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide

C19H21ClN2OS — CID 18180934

IUPAC5-(4-chlorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide
SMILESCC1C(NC(=O)c2ccc(-c3ccc(Cl)cc3)s2)C2CCN1CC2
InChIInChI=1S/C19H21ClN2OS/c1-12-18(14-8-10-22(12)11-9-14)21-19(23)17-7-6-16(24-17)13-2-4-15(20)5-3-13/h2-7,12,14,18H,8-11H2,1H3,(H,21,23)
InChIKeyFCHKTBSHKIVXIU-UHFFFAOYSA-N
MW360.91 g/mol
LogP4.28
Rot. Bonds3

About 5-(4-chlorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide

5-(4-chlorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide (PubChem CID 18180934) has the molecular formula C19H21ClN2OS and a molecular weight of 360.91 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide
PubChem CID18180934
Molecular FormulaC19H21ClN2OS
Molecular Weight360.91 g/mol
Exact Mass360.11
IUPAC Name5-(4-chlorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide
SMILESCC1C(NC(=O)c2ccc(-c3ccc(Cl)cc3)s2)C2CCN1CC2
InChIInChI=1S/C19H21ClN2OS/c1-12-18(14-8-10-22(12)11-9-14)21-19(23)17-7-6-16(24-17)13-2-4-15(20)5-3-13/h2-7,12,14,18H,8-11H2,1H3,(H,21,23)
InChIKeyFCHKTBSHKIVXIU-UHFFFAOYSA-N
XLogP4.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.91
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-(11C)carboxamide
CID 10062163
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methyl-1,3-oxazol-2-yl)thiophene-2-carboxamide
CID 18181466
5-(4-chlorophenyl)-N-(2-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 120598957
5-(4-hydroxyphenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide
CID 18181190
5-[(5-chloro-1,3-thiazol-2-yl)sulfanyl]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide
CID 18181259
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-thiophen-3-ylsulfanylthiophene-2-carboxamide
CID 18181393
5-(4-aminophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-2-carboxamide
CID 18181304
5-(4-chlorophenyl)sulfanyl-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-2-carboxamide
CID 18182050
5-(3-methoxyphenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide
CID 18181229
5-(4-acetamidophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-2-carboxamide
CID 18180537
5-(4-chlorophenyl)-N-piperidin-3-ylthiophene-2-carboxamide
CID 119426767
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-pyridin-4-yl-1,3-thiazole-2-carboxamide
CID 18180659

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide (CID 18180934) is 5-(4-chlorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide is CC1C(NC(=O)c2ccc(-c3ccc(Cl)cc3)s2)C2CCN1CC2.
What is the InChIKey of 5-(4-chlorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide?
The InChIKey is FCHKTBSHKIVXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2OS/c1-12-18(14-8-10-22(12)11-9-14)21-19(23)17-7-6-16(24-17)13-2-4-15(20)5-3-13/h2-7,12,14,18H,8-11H2,1H3,(H,21,23).
What are the key properties of 5-(4-chlorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide?
5-(4-chlorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide has a molecular weight of 360.91 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 18180934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).