N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]thiophene-2-sulfonamide

C19H20N2O3S2 — CID 7525663

About N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]thiophene-2-sulfonamide

N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 7525663) has the molecular formula C19H20N2O3S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

• Compound Name: N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]thiophene-2-sulfonamide
• PubChem CID: 7525663
• Molecular Formula: C19H20N2O3S2
• Molecular Weight: 388.51 g/mol
• Exact Mass: 388.09
• IUPAC Name: N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]thiophene-2-sulfonamide
• SMILES: O=S(=O)(NC[C@@H](c1ccco1)N1CCc2ccccc2C1)c1cccs1
• InChI: InChI=1S/C19H20N2O3S2/c22-26(23,19-8-4-12-25-19)20-13-17(18-7-3-11-24-18)21-10-9-15-5-1-2-6-16(15)14-21/h1-8,11-12,17,20H,9-10,13-14H2/t17-/m0/s1
• InChIKey: IFBWBRCFAPFVAF-KRWDZBQOSA-N
• XLogP: 3.42
• TPSA: 62.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.51
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]thiophene-2-sulfonamide?

The IUPAC name of N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]thiophene-2-sulfonamide (CID 7525663) is N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]thiophene-2-sulfonamide.

What is the SMILES notation for N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]thiophene-2-sulfonamide?

The canonical SMILES for N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]thiophene-2-sulfonamide is O=S(=O)(NC[C@@H](c1ccco1)N1CCc2ccccc2C1)c1cccs1.

What is the InChIKey of N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]thiophene-2-sulfonamide?

The InChIKey is IFBWBRCFAPFVAF-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20N2O3S2/c22-26(23,19-8-4-12-25-19)20-13-17(18-7-3-11-24-18)21-10-9-15-5-1-2-6-16(15)14-21/h1-8,11-12,17,20H,9-10,13-14H2/t17-/m0/s1.

What are the key properties of N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]thiophene-2-sulfonamide?

N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 388.51 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 7525663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).