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

C19H20N2O2S2 — CID 156601663

IUPACN-[2-(2-phenylsulfanylacetyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-carboxamide
SMILESO=C(NC1CC2CC1CN2C(=O)CSc1ccccc1)c1cccs1
InChIInChI=1S/C19H20N2O2S2/c22-18(12-25-15-5-2-1-3-6-15)21-11-13-9-14(21)10-16(13)20-19(23)17-7-4-8-24-17/h1-8,13-14,16H,9-12H2,(H,20,23)
InChIKeyHZSWGFIENZBLJL-UHFFFAOYSA-N
MW372.52 g/mol
LogP3.26
Rot. Bonds5

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

N-[2-(2-phenylsulfanylacetyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-carboxamide (PubChem CID 156601663) has the molecular formula C19H20N2O2S2 and a molecular weight of 372.52 g/mol. Its IUPAC name is N-[2-(2-phenylsulfanylacetyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-phenylsulfanylacetyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-carboxamide
PubChem CID156601663
Molecular FormulaC19H20N2O2S2
Molecular Weight372.52 g/mol
Exact Mass372.10
IUPAC NameN-[2-(2-phenylsulfanylacetyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-carboxamide
SMILESO=C(NC1CC2CC1CN2C(=O)CSc1ccccc1)c1cccs1
InChIInChI=1S/C19H20N2O2S2/c22-18(12-25-15-5-2-1-3-6-15)21-11-13-9-14(21)10-16(13)20-19(23)17-7-4-8-24-17/h1-8,13-14,16H,9-12H2,(H,20,23)
InChIKeyHZSWGFIENZBLJL-UHFFFAOYSA-N
XLogP3.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenylsulfanylacetyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(2-phenylsulfanylacetyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-carboxamide (CID 156601663) is N-[2-(2-phenylsulfanylacetyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2-phenylsulfanylacetyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(2-phenylsulfanylacetyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-carboxamide is O=C(NC1CC2CC1CN2C(=O)CSc1ccccc1)c1cccs1.
What is the InChIKey of N-[2-(2-phenylsulfanylacetyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-carboxamide?
The InChIKey is HZSWGFIENZBLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S2/c22-18(12-25-15-5-2-1-3-6-15)21-11-13-9-14(21)10-16(13)20-19(23)17-7-4-8-24-17/h1-8,13-14,16H,9-12H2,(H,20,23).
What are the key properties of N-[2-(2-phenylsulfanylacetyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-carboxamide?
N-[2-(2-phenylsulfanylacetyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-carboxamide has a molecular weight of 372.52 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenylsulfanylacetyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 156601663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).