N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenylthiophene-2-carboxamide

C18H20N2OS — CID 10291446

IUPACN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenylthiophene-2-carboxamide
SMILESO=C(N[C@H]1CN2CCC1CC2)c1ccc(-c2ccccc2)s1
InChIInChI=1S/C18H20N2OS/c21-18(19-15-12-20-10-8-13(15)9-11-20)17-7-6-16(22-17)14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H,19,21)/t15-/m0/s1
InChIKeyLEUSUHAAYXEGAO-HNNXBMFYSA-N
MW312.44 g/mol
LogP3.24
Rot. Bonds3

About N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenylthiophene-2-carboxamide

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenylthiophene-2-carboxamide (PubChem CID 10291446) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenylthiophene-2-carboxamide
PubChem CID10291446
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenylthiophene-2-carboxamide
SMILESO=C(N[C@H]1CN2CCC1CC2)c1ccc(-c2ccccc2)s1
InChIInChI=1S/C18H20N2OS/c21-18(19-15-12-20-10-8-13(15)9-11-20)17-7-6-16(22-17)14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H,19,21)/t15-/m0/s1
InChIKeyLEUSUHAAYXEGAO-HNNXBMFYSA-N
XLogP3.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenylthiophene-2-carboxamide?
The IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenylthiophene-2-carboxamide (CID 10291446) is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenylthiophene-2-carboxamide is O=C(N[C@H]1CN2CCC1CC2)c1ccc(-c2ccccc2)s1.
What is the InChIKey of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenylthiophene-2-carboxamide?
The InChIKey is LEUSUHAAYXEGAO-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20N2OS/c21-18(19-15-12-20-10-8-13(15)9-11-20)17-7-6-16(22-17)14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H,19,21)/t15-/m0/s1.
What are the key properties of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenylthiophene-2-carboxamide?
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenylthiophene-2-carboxamide has a molecular weight of 312.44 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenylthiophene-2-carboxamide is sourced from PubChem (CID 10291446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).