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

C20H22N2O2S — CID 91189868

IUPAC5-(4-acetylphenyl)-N-(1-azabicyclo[2.2.2]octan-2-yl)thiophene-2-carboxamide
SMILESCC(=O)c1ccc(-c2ccc(C(=O)NC3CC4CCN3CC4)s2)cc1
InChIInChI=1S/C20H22N2O2S/c1-13(23)15-2-4-16(5-3-15)17-6-7-18(25-17)20(24)21-19-12-14-8-10-22(19)11-9-14/h2-7,14,19H,8-12H2,1H3,(H,21,24)
InChIKeyRMAHSXYGAXMCOD-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.79
Rot. Bonds4

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

5-(4-acetylphenyl)-N-(1-azabicyclo[2.2.2]octan-2-yl)thiophene-2-carboxamide (PubChem CID 91189868) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 5-(4-acetylphenyl)-N-(1-azabicyclo[2.2.2]octan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-acetylphenyl)-N-(1-azabicyclo[2.2.2]octan-2-yl)thiophene-2-carboxamide
PubChem CID91189868
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name5-(4-acetylphenyl)-N-(1-azabicyclo[2.2.2]octan-2-yl)thiophene-2-carboxamide
SMILESCC(=O)c1ccc(-c2ccc(C(=O)NC3CC4CCN3CC4)s2)cc1
InChIInChI=1S/C20H22N2O2S/c1-13(23)15-2-4-16(5-3-15)17-6-7-18(25-17)20(24)21-19-12-14-8-10-22(19)11-9-14/h2-7,14,19H,8-12H2,1H3,(H,21,24)
InChIKeyRMAHSXYGAXMCOD-UHFFFAOYSA-N
XLogP3.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(4-hydroxyphenyl)thiophene-2-carboxamide
CID 22350735
N-(1-azabicyclo[2.2.2]octan-2-yl)-4-methyl-5-phenylthiophene-2-carboxamide
CID 90691552
5-(4-chlorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide
CID 18180934
5-(3-acetylphenyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide
CID 18180969
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(4-carbamoylphenyl)thiophene-2-carboxamide
CID 18535096
5-(4-chlorophenyl)-N-(2-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 120598957
N-(1-benzylpiperidin-4-yl)-5-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 117081019
5-(4-fluorophenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]thiophene-2-carboxamide
CID 56569475
N-[(3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-phenylthiophene-2-carboxamide
CID 141172233
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(4-chlorophenyl)thiophene-2-carboxamide;hydrochloride
CID 119457422
N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(3-methoxyphenyl)thiophene-2-carboxamide
CID 22350651
4-(5-acetylthiophen-2-yl)-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylphenyl)-N-(1-azabicyclo[2.2.2]octan-2-yl)thiophene-2-carboxamide?
The IUPAC name of 5-(4-acetylphenyl)-N-(1-azabicyclo[2.2.2]octan-2-yl)thiophene-2-carboxamide (CID 91189868) is 5-(4-acetylphenyl)-N-(1-azabicyclo[2.2.2]octan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-acetylphenyl)-N-(1-azabicyclo[2.2.2]octan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-(4-acetylphenyl)-N-(1-azabicyclo[2.2.2]octan-2-yl)thiophene-2-carboxamide is CC(=O)c1ccc(-c2ccc(C(=O)NC3CC4CCN3CC4)s2)cc1.
What is the InChIKey of 5-(4-acetylphenyl)-N-(1-azabicyclo[2.2.2]octan-2-yl)thiophene-2-carboxamide?
The InChIKey is RMAHSXYGAXMCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-13(23)15-2-4-16(5-3-15)17-6-7-18(25-17)20(24)21-19-12-14-8-10-22(19)11-9-14/h2-7,14,19H,8-12H2,1H3,(H,21,24).
What are the key properties of 5-(4-acetylphenyl)-N-(1-azabicyclo[2.2.2]octan-2-yl)thiophene-2-carboxamide?
5-(4-acetylphenyl)-N-(1-azabicyclo[2.2.2]octan-2-yl)thiophene-2-carboxamide has a molecular weight of 354.48 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylphenyl)-N-(1-azabicyclo[2.2.2]octan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 91189868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).