N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(3-fluoro-4-phenylmethoxyphenyl)thiophene-2-carboxamide

C25H25FN2O2S — CID 10203400

IUPACN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(3-fluoro-4-phenylmethoxyphenyl)thiophene-2-carboxamide
SMILESO=C(N[C@H]1CN2CCC1CC2)c1ccc(-c2ccc(OCc3ccccc3)c(F)c2)s1
InChIInChI=1S/C25H25FN2O2S/c26-20-14-19(6-7-22(20)30-16-17-4-2-1-3-5-17)23-8-9-24(31-23)25(29)27-21-15-28-12-10-18(21)11-13-28/h1-9,14,18,21H,10-13,15-16H2,(H,27,29)/t21-/m0/s1
InChIKeyMGGHEDLCUBIATR-NRFANRHFSA-N
MW436.55 g/mol
LogP4.96
Rot. Bonds6

About N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(3-fluoro-4-phenylmethoxyphenyl)thiophene-2-carboxamide

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(3-fluoro-4-phenylmethoxyphenyl)thiophene-2-carboxamide (PubChem CID 10203400) has the molecular formula C25H25FN2O2S and a molecular weight of 436.55 g/mol. Its IUPAC name is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(3-fluoro-4-phenylmethoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(3-fluoro-4-phenylmethoxyphenyl)thiophene-2-carboxamide
PubChem CID10203400
Molecular FormulaC25H25FN2O2S
Molecular Weight436.55 g/mol
Exact Mass436.16
IUPAC NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(3-fluoro-4-phenylmethoxyphenyl)thiophene-2-carboxamide
SMILESO=C(N[C@H]1CN2CCC1CC2)c1ccc(-c2ccc(OCc3ccccc3)c(F)c2)s1
InChIInChI=1S/C25H25FN2O2S/c26-20-14-19(6-7-22(20)30-16-17-4-2-1-3-5-17)23-8-9-24(31-23)25(29)27-21-15-28-12-10-18(21)11-13-28/h1-9,14,18,21H,10-13,15-16H2,(H,27,29)/t21-/m0/s1
InChIKeyMGGHEDLCUBIATR-NRFANRHFSA-N
XLogP4.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(3-fluoro-4-phenylmethoxyphenyl)thiophene-2-carboxamide with MolForge

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Related Compounds

N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-5-(3-phenylmethoxyphenyl)thiophene-2-carboxamide
CID 20815167
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenylthiophene-2-(11C)carboxamide
CID 10041150
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[3-(hydroxymethyl)phenyl]thiophene-2-carboxamide
CID 10291113
5-[3,4-bis(phenylmethoxy)phenyl]-N-cyclopropylthiophene-2-carboxamide
CID 25131160
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-methyl-4-pyridinyl)thiophene-2-carboxamide
CID 18181309
5-(3-acetylphenyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide
CID 18180969
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-3-ylthiophene-2-carboxamide
CID 10271460
5-[3-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]carbamoyl]phenyl]-N-ethylthiophene-2-carboxamide
CID 126426560
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methoxy-5-phenylthiophene-2-carboxamide
CID 18180378
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-phenylmethoxynaphthalene-2-carboxamide
CID 10150574
(5-phenylthiophen-2-yl) N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate
CID 69301942
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-hydroxyphenoxy)thiophene-2-carboxamide
CID 18180782

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(3-fluoro-4-phenylmethoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(3-fluoro-4-phenylmethoxyphenyl)thiophene-2-carboxamide (CID 10203400) is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(3-fluoro-4-phenylmethoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(3-fluoro-4-phenylmethoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(3-fluoro-4-phenylmethoxyphenyl)thiophene-2-carboxamide is O=C(N[C@H]1CN2CCC1CC2)c1ccc(-c2ccc(OCc3ccccc3)c(F)c2)s1.
What is the InChIKey of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(3-fluoro-4-phenylmethoxyphenyl)thiophene-2-carboxamide?
The InChIKey is MGGHEDLCUBIATR-NRFANRHFSA-N. The full InChI is InChI=1S/C25H25FN2O2S/c26-20-14-19(6-7-22(20)30-16-17-4-2-1-3-5-17)23-8-9-24(31-23)25(29)27-21-15-28-12-10-18(21)11-13-28/h1-9,14,18,21H,10-13,15-16H2,(H,27,29)/t21-/m0/s1.
What are the key properties of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(3-fluoro-4-phenylmethoxyphenyl)thiophene-2-carboxamide?
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(3-fluoro-4-phenylmethoxyphenyl)thiophene-2-carboxamide has a molecular weight of 436.55 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(3-fluoro-4-phenylmethoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 10203400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).