N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-ylethyl]furan-2-carboxamide

C20H21N2O2S+ — CID 7526120

About N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-ylethyl]furan-2-carboxamide

N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-ylethyl]furan-2-carboxamide (PubChem CID 7526120) has the molecular formula C20H21N2O2S+ and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-ylethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-ylethyl]furan-2-carboxamide
• PubChem CID: 7526120
• Molecular Formula: C20H21N2O2S+
• Molecular Weight: 353.47 g/mol
• Exact Mass: 353.13
• IUPAC Name: N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-ylethyl]furan-2-carboxamide
• SMILES: O=C(NC[C@H](c1cccs1)[NH+]1CCc2ccccc2C1)c1ccco1
• InChI: InChI=1S/C20H20N2O2S/c23-20(18-7-3-11-24-18)21-13-17(19-8-4-12-25-19)22-10-9-15-5-1-2-6-16(15)14-22/h1-8,11-12,17H,9-10,13-14H2,(H,21,23)/p+1/t17-/m1/s1
• InChIKey: WQGUUISUYXWPOT-QGZVFWFLSA-O
• XLogP: 2.45
• TPSA: 46.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.47
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-ylethyl]furan-2-carboxamide?

The IUPAC name of N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-ylethyl]furan-2-carboxamide (CID 7526120) is N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-ylethyl]furan-2-carboxamide.

What is the SMILES notation for N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-ylethyl]furan-2-carboxamide?

The canonical SMILES for N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-ylethyl]furan-2-carboxamide is O=C(NC[C@H](c1cccs1)[NH+]1CCc2ccccc2C1)c1ccco1.

What is the InChIKey of N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-ylethyl]furan-2-carboxamide?

The InChIKey is WQGUUISUYXWPOT-QGZVFWFLSA-O. The full InChI is InChI=1S/C20H20N2O2S/c23-20(18-7-3-11-24-18)21-13-17(19-8-4-12-25-19)22-10-9-15-5-1-2-6-16(15)14-22/h1-8,11-12,17H,9-10,13-14H2,(H,21,23)/p+1/t17-/m1/s1.

What are the key properties of N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-ylethyl]furan-2-carboxamide?

N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-ylethyl]furan-2-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-ylethyl]furan-2-carboxamide is sourced from PubChem (CID 7526120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).