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

C19H20N2O3S2 — CID 7525665

IUPACN-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC[C@H](c1ccco1)N1CCc2ccccc2C1)c1cccs1
InChIInChI=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-/m1/s1
InChIKeyIFBWBRCFAPFVAF-QGZVFWFLSA-N
MW388.51 g/mol
LogP3.42
Rot. Bonds6

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

N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 7525665) has the molecular formula C19H20N2O3S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]thiophene-2-sulfonamide
PubChem CID7525665
Molecular FormulaC19H20N2O3S2
Molecular Weight388.51 g/mol
Exact Mass388.09
IUPAC NameN-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC[C@H](c1ccco1)N1CCc2ccccc2C1)c1cccs1
InChIInChI=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-/m1/s1
InChIKeyIFBWBRCFAPFVAF-QGZVFWFLSA-N
XLogP3.42
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]thiophene-2-sulfonamide with MolForge

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Related Compounds

N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]thiophene-2-sulfonamide
CID 7525663
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 30717095
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]benzenesulfonamide
CID 18577861
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]thiophene-2-sulfonamide
CID 58859301
N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-N-(2-methylpropyl)oxamide
CID 18577632
N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)hexyl]thiophene-2-sulfonamide;hydrochloride
CID 21092413
2-chloro-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]benzamide
CID 7525467
N'-tert-butyl-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]oxamide
CID 7525907
N'-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-N-(3-hydroxypropyl)oxamide
CID 7525755
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide
CID 7525541
5-bromo-N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]thiophene-2-sulfonamide
CID 124759272
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-2,5-dimethoxybenzenesulfonamide
CID 30717717

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]thiophene-2-sulfonamide (CID 7525665) is N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(2R)-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-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is IFBWBRCFAPFVAF-QGZVFWFLSA-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-/m1/s1.
What are the key properties of N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]thiophene-2-sulfonamide?
N-[(2R)-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-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 7525665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).