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

C19H22N2OS — CID 90691552

IUPACN-(1-azabicyclo[2.2.2]octan-2-yl)-4-methyl-5-phenylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NC2CC3CCN2CC3)sc1-c1ccccc1
InChIInChI=1S/C19H22N2OS/c1-13-11-16(23-18(13)15-5-3-2-4-6-15)19(22)20-17-12-14-7-9-21(17)10-8-14/h2-6,11,14,17H,7-10,12H2,1H3,(H,20,22)
InChIKeyYBXYBOQWHFYQRB-UHFFFAOYSA-N
MW326.46 g/mol
LogP3.90
Rot. Bonds3

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

N-(1-azabicyclo[2.2.2]octan-2-yl)-4-methyl-5-phenylthiophene-2-carboxamide (PubChem CID 90691552) has the molecular formula C19H22N2OS and a molecular weight of 326.46 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-2-yl)-4-methyl-5-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-2-yl)-4-methyl-5-phenylthiophene-2-carboxamide
PubChem CID90691552
Molecular FormulaC19H22N2OS
Molecular Weight326.46 g/mol
Exact Mass326.15
IUPAC NameN-(1-azabicyclo[2.2.2]octan-2-yl)-4-methyl-5-phenylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NC2CC3CCN2CC3)sc1-c1ccccc1
InChIInChI=1S/C19H22N2OS/c1-13-11-16(23-18(13)15-5-3-2-4-6-15)19(22)20-17-12-14-7-9-21(17)10-8-14/h2-6,11,14,17H,7-10,12H2,1H3,(H,20,22)
InChIKeyYBXYBOQWHFYQRB-UHFFFAOYSA-N
XLogP3.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(1-methylpiperidin-4-yl)-5-phenylthiophene-2-carboxamide
CID 25236677
N-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-5-phenylthiophene-2-carboxamide
CID 125418912
5-(4-acetylphenyl)-N-(1-azabicyclo[2.2.2]octan-2-yl)thiophene-2-carboxamide
CID 91189868
4-methyl-N-(oxolan-2-ylmethyl)-5-phenylthiophene-2-carboxamide
CID 17174245
4-methyl-5-phenyl-N-[(2R)-2-piperidin-1-ylpropyl]thiophene-2-carboxamide
CID 125434439
N-(4-aminocyclohexyl)-5-(4-fluorophenyl)-4-methylthiophene-2-carboxamide
CID 119477809
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methoxy-5-phenylthiophene-2-carboxamide
CID 18180378
methyl 4-[(4-methyl-5-phenylthiophene-2-carbonyl)amino]benzoate
CID 121238680
[4-(4-methyl-5-phenylthiophene-2-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 1244175
[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(4-methyl-5-phenylthiophen-2-yl)methanone
CID 135113087
2-[3-[(4-methyl-5-phenylthiophene-2-carbonyl)amino]phenyl]acetic acid
CID 59654667
(3S,6R)-6-amino-1-(4-methyl-5-phenylthiophene-2-carbonyl)azepane-3-carboxylic acid;hydrochloride
CID 171711553

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-2-yl)-4-methyl-5-phenylthiophene-2-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-2-yl)-4-methyl-5-phenylthiophene-2-carboxamide (CID 90691552) is N-(1-azabicyclo[2.2.2]octan-2-yl)-4-methyl-5-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-2-yl)-4-methyl-5-phenylthiophene-2-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-2-yl)-4-methyl-5-phenylthiophene-2-carboxamide is Cc1cc(C(=O)NC2CC3CCN2CC3)sc1-c1ccccc1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-2-yl)-4-methyl-5-phenylthiophene-2-carboxamide?
The InChIKey is YBXYBOQWHFYQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c1-13-11-16(23-18(13)15-5-3-2-4-6-15)19(22)20-17-12-14-7-9-21(17)10-8-14/h2-6,11,14,17H,7-10,12H2,1H3,(H,20,22).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-2-yl)-4-methyl-5-phenylthiophene-2-carboxamide?
N-(1-azabicyclo[2.2.2]octan-2-yl)-4-methyl-5-phenylthiophene-2-carboxamide has a molecular weight of 326.46 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-2-yl)-4-methyl-5-phenylthiophene-2-carboxamide is sourced from PubChem (CID 90691552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).