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

C20H24N2O3S — CID 18181229

IUPAC5-(3-methoxyphenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide
SMILESCOc1cccc(Oc2ccc(C(=O)NC3C4CCN(CC4)C3C)s2)c1
InChIInChI=1S/C20H24N2O3S/c1-13-19(14-8-10-22(13)11-9-14)21-20(23)17-6-7-18(26-17)25-16-5-3-4-15(12-16)24-2/h3-7,12-14,19H,8-11H2,1-2H3,(H,21,23)
InChIKeyCDWDHXMHGHLQEQ-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.76
Rot. Bonds5

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

5-(3-methoxyphenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide (PubChem CID 18181229) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 5-(3-methoxyphenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-methoxyphenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide
PubChem CID18181229
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name5-(3-methoxyphenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide
SMILESCOc1cccc(Oc2ccc(C(=O)NC3C4CCN(CC4)C3C)s2)c1
InChIInChI=1S/C20H24N2O3S/c1-13-19(14-8-10-22(13)11-9-14)21-20(23)17-6-7-18(26-17)25-16-5-3-4-15(12-16)24-2/h3-7,12-14,19H,8-11H2,1-2H3,(H,21,23)
InChIKeyCDWDHXMHGHLQEQ-UHFFFAOYSA-N
XLogP3.76
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-acetamidophenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide
CID 18181276
5-(3-methoxyphenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-2-carboxamide
CID 18181708
5-[3-[(2,2-difluoroacetyl)amino]phenoxy]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide
CID 18180523
5-(4-hydroxyphenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide
CID 18181190
5-[(2-methoxy-1,3-thiazol-5-yl)oxy]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide
CID 18180711
5-[(4-methoxy-1,3-oxazol-2-yl)oxy]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide
CID 18182005
4-(5-chlorothiophen-2-yl)oxy-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 18383864
5-(4-chlorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide
CID 18180934
5-(3-acetylphenyl)sulfanyl-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide
CID 18181730
4-[(4-methoxy-2-pyridinyl)sulfanyl]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 18383418
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methyl-1,3-oxazol-2-yl)thiophene-2-carboxamide
CID 18181466
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3-oxazol-5-ylsulfanyl)thiophene-2-carboxamide
CID 18180912

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide?
The IUPAC name of 5-(3-methoxyphenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide (CID 18181229) is 5-(3-methoxyphenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(3-methoxyphenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-(3-methoxyphenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide is COc1cccc(Oc2ccc(C(=O)NC3C4CCN(CC4)C3C)s2)c1.
What is the InChIKey of 5-(3-methoxyphenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide?
The InChIKey is CDWDHXMHGHLQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-13-19(14-8-10-22(13)11-9-14)21-20(23)17-6-7-18(26-17)25-16-5-3-4-15(12-16)24-2/h3-7,12-14,19H,8-11H2,1-2H3,(H,21,23).
What are the key properties of 5-(3-methoxyphenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide?
5-(3-methoxyphenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 18181229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).