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

C18H20N2OS — CID 22350598

IUPACN-(2-azabicyclo[2.2.1]heptan-5-yl)-5-(2-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccccc1-c1ccc(C(=O)NC2CC3CC2CN3)s1
InChIInChI=1S/C18H20N2OS/c1-11-4-2-3-5-14(11)16-6-7-17(22-16)18(21)20-15-9-13-8-12(15)10-19-13/h2-7,12-13,15,19H,8-10H2,1H3,(H,20,21)
InChIKeyBJBVGXAZBOFRLM-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.20
Rot. Bonds3

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

N-(2-azabicyclo[2.2.1]heptan-5-yl)-5-(2-methylphenyl)thiophene-2-carboxamide (PubChem CID 22350598) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is N-(2-azabicyclo[2.2.1]heptan-5-yl)-5-(2-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-azabicyclo[2.2.1]heptan-5-yl)-5-(2-methylphenyl)thiophene-2-carboxamide
PubChem CID22350598
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC NameN-(2-azabicyclo[2.2.1]heptan-5-yl)-5-(2-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccccc1-c1ccc(C(=O)NC2CC3CC2CN3)s1
InChIInChI=1S/C18H20N2OS/c1-11-4-2-3-5-14(11)16-6-7-17(22-16)18(21)20-15-9-13-8-12(15)10-19-13/h2-7,12-13,15,19H,8-10H2,1H3,(H,20,21)
InChIKeyBJBVGXAZBOFRLM-UHFFFAOYSA-N
XLogP3.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-azabicyclo[2.2.1]heptan-5-yl)-5-(2-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-(2-azabicyclo[2.2.1]heptan-5-yl)-5-(2-methylphenyl)thiophene-2-carboxamide (CID 22350598) is N-(2-azabicyclo[2.2.1]heptan-5-yl)-5-(2-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-azabicyclo[2.2.1]heptan-5-yl)-5-(2-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-azabicyclo[2.2.1]heptan-5-yl)-5-(2-methylphenyl)thiophene-2-carboxamide is Cc1ccccc1-c1ccc(C(=O)NC2CC3CC2CN3)s1.
What is the InChIKey of N-(2-azabicyclo[2.2.1]heptan-5-yl)-5-(2-methylphenyl)thiophene-2-carboxamide?
The InChIKey is BJBVGXAZBOFRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS/c1-11-4-2-3-5-14(11)16-6-7-17(22-16)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-(2-methylphenyl)thiophene-2-carboxamide?
N-(2-azabicyclo[2.2.1]heptan-5-yl)-5-(2-methylphenyl)thiophene-2-carboxamide has a molecular weight of 312.44 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azabicyclo[2.2.1]heptan-5-yl)-5-(2-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 22350598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).