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

C22H27N3O3S — CID 18180558

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-morpholin-4-ylphenoxy)thiophene-2-carboxamide
SMILESO=C(NC1CN2CCC1CC2)c1ccc(Oc2ccc(N3CCOCC3)cc2)s1
InChIInChI=1S/C22H27N3O3S/c26-22(23-19-15-24-9-7-16(19)8-10-24)20-5-6-21(29-20)28-18-3-1-17(2-4-18)25-11-13-27-14-12-25/h1-6,16,19H,7-15H2,(H,23,26)
InChIKeyJQYBXMOWEVHGGY-UHFFFAOYSA-N
MW413.54 g/mol
LogP3.20
Rot. Bonds5

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

N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-morpholin-4-ylphenoxy)thiophene-2-carboxamide (PubChem CID 18180558) has the molecular formula C22H27N3O3S and a molecular weight of 413.54 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-morpholin-4-ylphenoxy)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-morpholin-4-ylphenoxy)thiophene-2-carboxamide
PubChem CID18180558
Molecular FormulaC22H27N3O3S
Molecular Weight413.54 g/mol
Exact Mass413.18
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-morpholin-4-ylphenoxy)thiophene-2-carboxamide
SMILESO=C(NC1CN2CCC1CC2)c1ccc(Oc2ccc(N3CCOCC3)cc2)s1
InChIInChI=1S/C22H27N3O3S/c26-22(23-19-15-24-9-7-16(19)8-10-24)20-5-6-21(29-20)28-18-3-1-17(2-4-18)25-11-13-27-14-12-25/h1-6,16,19H,7-15H2,(H,23,26)
InChIKeyJQYBXMOWEVHGGY-UHFFFAOYSA-N
XLogP3.20
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chlorophenoxy)thiophene-2-carboxamide
CID 18182118
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-[4-[(2,2-difluoroacetyl)amino]phenoxy]thiophene-2-carboxamide
CID 18344930
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-hydroxyphenoxy)thiophene-2-carboxamide
CID 18180782
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-morpholin-4-yl-3-pyridinyl)oxy]benzamide
CID 18383816
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[(6-chloro-2-pyridinyl)oxy]thiophene-2-carboxamide
CID 18181776
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-morpholin-4-yl-1,2-benzothiazole-3-carboxamide
CID 10047635
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-(2-morpholin-4-ylphenyl)-1-benzothiophene-2-carboxamide
CID 58675264
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-morpholin-4-yl-1H-indazole-3-carboxamide
CID 58578011
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenylthiophene-2-(11C)carboxamide
CID 10041150
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(1,3-thiazol-5-yloxy)benzamide
CID 10471783
5-(4-hydroxyphenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide
CID 18181190
5-(aminomethyl)-N-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]thiophene-2-carboxamide
CID 59113585

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-morpholin-4-ylphenoxy)thiophene-2-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-morpholin-4-ylphenoxy)thiophene-2-carboxamide (CID 18180558) is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-morpholin-4-ylphenoxy)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-morpholin-4-ylphenoxy)thiophene-2-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-morpholin-4-ylphenoxy)thiophene-2-carboxamide is O=C(NC1CN2CCC1CC2)c1ccc(Oc2ccc(N3CCOCC3)cc2)s1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-morpholin-4-ylphenoxy)thiophene-2-carboxamide?
The InChIKey is JQYBXMOWEVHGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3S/c26-22(23-19-15-24-9-7-16(19)8-10-24)20-5-6-21(29-20)28-18-3-1-17(2-4-18)25-11-13-27-14-12-25/h1-6,16,19H,7-15H2,(H,23,26).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-morpholin-4-ylphenoxy)thiophene-2-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-morpholin-4-ylphenoxy)thiophene-2-carboxamide has a molecular weight of 413.54 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-morpholin-4-ylphenoxy)thiophene-2-carboxamide is sourced from PubChem (CID 18180558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).