N-(2-azabicyclo[2.2.1]heptan-5-yl)-5-(4-methoxyphenyl)thiophene-2-carboxamide

C18H20N2O2S — CID 22350701

IUPACN-(2-azabicyclo[2.2.1]heptan-5-yl)-5-(4-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)NC3CC4CC3CN4)s2)cc1
InChIInChI=1S/C18H20N2O2S/c1-22-14-4-2-11(3-5-14)16-6-7-17(23-16)18(21)20-15-9-13-8-12(15)10-19-13/h2-7,12-13,15,19H,8-10H2,1H3,(H,20,21)
InChIKeyRNHVICPWARJOSD-UHFFFAOYSA-N
MW328.44 g/mol
LogP2.90
Rot. Bonds4

About N-(2-azabicyclo[2.2.1]heptan-5-yl)-5-(4-methoxyphenyl)thiophene-2-carboxamide

N-(2-azabicyclo[2.2.1]heptan-5-yl)-5-(4-methoxyphenyl)thiophene-2-carboxamide (PubChem CID 22350701) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-(2-azabicyclo[2.2.1]heptan-5-yl)-5-(4-methoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-azabicyclo[2.2.1]heptan-5-yl)-5-(4-methoxyphenyl)thiophene-2-carboxamide
PubChem CID22350701
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-(2-azabicyclo[2.2.1]heptan-5-yl)-5-(4-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)NC3CC4CC3CN4)s2)cc1
InChIInChI=1S/C18H20N2O2S/c1-22-14-4-2-11(3-5-14)16-6-7-17(23-16)18(21)20-15-9-13-8-12(15)10-19-13/h2-7,12-13,15,19H,8-10H2,1H3,(H,20,21)
InChIKeyRNHVICPWARJOSD-UHFFFAOYSA-N
XLogP2.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-azabicyclo[2.2.1]heptan-5-yl)-5-(4-methoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of N-(2-azabicyclo[2.2.1]heptan-5-yl)-5-(4-methoxyphenyl)thiophene-2-carboxamide (CID 22350701) is N-(2-azabicyclo[2.2.1]heptan-5-yl)-5-(4-methoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-azabicyclo[2.2.1]heptan-5-yl)-5-(4-methoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-azabicyclo[2.2.1]heptan-5-yl)-5-(4-methoxyphenyl)thiophene-2-carboxamide is COc1ccc(-c2ccc(C(=O)NC3CC4CC3CN4)s2)cc1.
What is the InChIKey of N-(2-azabicyclo[2.2.1]heptan-5-yl)-5-(4-methoxyphenyl)thiophene-2-carboxamide?
The InChIKey is RNHVICPWARJOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-22-14-4-2-11(3-5-14)16-6-7-17(23-16)18(21)20-15-9-13-8-12(15)10-19-13/h2-7,12-13,15,19H,8-10H2,1H3,(H,20,21).
What are the key properties of N-(2-azabicyclo[2.2.1]heptan-5-yl)-5-(4-methoxyphenyl)thiophene-2-carboxamide?
N-(2-azabicyclo[2.2.1]heptan-5-yl)-5-(4-methoxyphenyl)thiophene-2-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azabicyclo[2.2.1]heptan-5-yl)-5-(4-methoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 22350701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).