2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(3-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-oxopyrrolidin-3-yl]ethenesulfonamide

C20H22ClN3O3S2 — CID 68939060

IUPAC2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(3-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-oxopyrrolidin-3-yl]ethenesulfonamide
SMILESCC1Cc2cc(N3CC[C@H](NS(=O)(=O)C=Cc4ccc(Cl)s4)C3=O)ccc2CN1
InChIInChI=1S/C20H22ClN3O3S2/c1-13-10-15-11-16(3-2-14(15)12-22-13)24-8-6-18(20(24)25)23-29(26,27)9-7-17-4-5-19(21)28-17/h2-5,7,9,11,13,18,22-23H,6,8,10,12H2,1H3/t13?,18-/m0/s1
InChIKeyYHPWZBOZWABGJG-UWBLVGDVSA-N
MW452.00 g/mol
LogP3.13
Rot. Bonds5

About 2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(3-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-oxopyrrolidin-3-yl]ethenesulfonamide

2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(3-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-oxopyrrolidin-3-yl]ethenesulfonamide (PubChem CID 68939060) has the molecular formula C20H22ClN3O3S2 and a molecular weight of 452.00 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(3-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-oxopyrrolidin-3-yl]ethenesulfonamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(3-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-oxopyrrolidin-3-yl]ethenesulfonamide
PubChem CID68939060
Molecular FormulaC20H22ClN3O3S2
Molecular Weight452.00 g/mol
Exact Mass451.08
IUPAC Name2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(3-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-oxopyrrolidin-3-yl]ethenesulfonamide
SMILESCC1Cc2cc(N3CC[C@H](NS(=O)(=O)C=Cc4ccc(Cl)s4)C3=O)ccc2CN1
InChIInChI=1S/C20H22ClN3O3S2/c1-13-10-15-11-16(3-2-14(15)12-22-13)24-8-6-18(20(24)25)23-29(26,27)9-7-17-4-5-19(21)28-17/h2-5,7,9,11,13,18,22-23H,6,8,10,12H2,1H3/t13?,18-/m0/s1
InChIKeyYHPWZBOZWABGJG-UWBLVGDVSA-N
XLogP3.13
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.00
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(3-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-oxopyrrolidin-3-yl]ethenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(3-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-oxopyrrolidin-3-yl]ethenesulfonamide;hydrochloride
CID 68939056
2-(5-chlorothiophen-2-yl)-N-[(3S)-2-oxo-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)pyrrolidin-3-yl]ethenesulfonamide
CID 69242929
2-(5-chlorothiophen-2-yl)-N-[(3S)-2-oxo-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-7-yl)pyrrolidin-3-yl]ethenesulfonamide
CID 69014690
1-tert-butyl-7-[(3S)-3-[[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonylamino]-2-oxopyrrolidin-1-yl]-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylic acid
CID 69123178
(E)-2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(7-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-oxopyrrolidin-3-yl]ethenesulfonamide;hydrochloride
CID 68938571
(E)-N-[1-(4-acetyl-2-fluorophenyl)-2-oxopyrrolidin-3-yl]-2-(5-chlorothiophen-2-yl)ethenesulfonamide
CID 21114336
2-(5-chlorothiophen-2-yl)-N-[1-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-oxopyrrolidin-3-yl]ethenesulfonamide
CID 69422663
2-(5-chlorothiophen-2-yl)-N-[1-[4-[2-(dimethylamino)propan-2-yl]-2-fluorophenyl]-2-oxopyrrolidin-3-yl]ethenesulfonamide
CID 69422669
(E)-2-(5-chlorothiophen-2-yl)-N-[1-[2-fluoro-4-(1-morpholin-4-ylethyl)phenyl]-2-oxopyrrolidin-3-yl]ethenesulfonamide
CID 11295256
2-(5-chlorothiophen-2-yl)-N-[1-[(3R)-3-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl]-5-oxo-2H-pyrrol-4-yl]ethanesulfonamide
CID 90899559
2-(5-chlorothiophen-2-yl)-N-[1-[2-fluoro-4-[1-[2-hydroxyethyl(methyl)amino]ethyl]phenyl]-2-oxopyrrolidin-3-yl]ethenesulfonamide
CID 69422724
N-(2-amino-2-oxoethyl)-4-[(3S)-3-[[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonylamino]-2-oxopyrrolidin-1-yl]-3-fluoro-N-methylbenzamide
CID 126962494

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(3-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-oxopyrrolidin-3-yl]ethenesulfonamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(3-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-oxopyrrolidin-3-yl]ethenesulfonamide (CID 68939060) is 2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(3-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-oxopyrrolidin-3-yl]ethenesulfonamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(3-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-oxopyrrolidin-3-yl]ethenesulfonamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(3-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-oxopyrrolidin-3-yl]ethenesulfonamide is CC1Cc2cc(N3CC[C@H](NS(=O)(=O)C=Cc4ccc(Cl)s4)C3=O)ccc2CN1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(3-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-oxopyrrolidin-3-yl]ethenesulfonamide?
The InChIKey is YHPWZBOZWABGJG-UWBLVGDVSA-N. The full InChI is InChI=1S/C20H22ClN3O3S2/c1-13-10-15-11-16(3-2-14(15)12-22-13)24-8-6-18(20(24)25)23-29(26,27)9-7-17-4-5-19(21)28-17/h2-5,7,9,11,13,18,22-23H,6,8,10,12H2,1H3/t13?,18-/m0/s1.
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(3-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-oxopyrrolidin-3-yl]ethenesulfonamide?
2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(3-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-oxopyrrolidin-3-yl]ethenesulfonamide has a molecular weight of 452.00 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(3-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-oxopyrrolidin-3-yl]ethenesulfonamide is sourced from PubChem (CID 68939060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).