SARS-CoV-2 PLpro Inhibitor, 59

Name: SARS-CoV-2 PLpro Inhibitor, 59 — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₁H₂₃N₃OS — CID 156907305

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC5-(azetidin-3-ylamino)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-methylbenzamide

SMILESCc1ccc(NC2CNC2)cc1C(=O)N[C@H](C)c1csc2ccccc12

InChIInChI=1S/C21H23N3OS/c1-13-7-8-15(24-16-10-22-11-16)9-18(13)21(25)23-14(2)19-12-26-20-6-4-3-5-17(19)20/h3-9,12,14,16,22,24H,10-11H2,1-2H3,(H,23,25)/t14-/m1/s1

InChIKeyLIVVQUMGFNDXGV-CQSZACIVSA-N

MW365.50 g/mol

LogP4.08

Rot. Bonds5

About SARS-CoV-2 PLpro Inhibitor, 59

SARS-CoV-2 PLpro Inhibitor, 59 (PubChem CID 156907305) has the molecular formula C₂₁H₂₃N₃OS and a molecular weight of 365.50 g/mol. Its IUPAC name is 5-(azetidin-3-ylamino)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-methylbenzamide.

Molecular Properties

Compound Name	SARS-CoV-2 PLpro Inhibitor, 59
PubChem CID	156907305
Molecular Formula	C₂₁H₂₃N₃OS
Molecular Weight	365.50 g/mol
Exact Mass	365.16
IUPAC Name	5-(azetidin-3-ylamino)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-methylbenzamide
SMILES	Cc1ccc(NC2CNC2)cc1C(=O)N[C@H](C)c1csc2ccccc12
InChI	InChI=1S/C21H23N3OS/c1-13-7-8-15(24-16-10-22-11-16)9-18(13)21(25)23-14(2)19-12-26-20-6-4-3-5-17(19)20/h3-9,12,14,16,22,24H,10-11H2,1-2H3,(H,23,25)/t14-/m1/s1
InChIKey	LIVVQUMGFNDXGV-CQSZACIVSA-N
XLogP	4.08
TPSA	53.16 Å²
H-Bond Donors	3
H-Bond Acceptors	4
Rotatable Bonds	5
Heavy Atoms	26
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.50
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of SARS-CoV-2 PLpro Inhibitor, 59?

The IUPAC name of SARS-CoV-2 PLpro Inhibitor, 59 (CID 156907305) is 5-(azetidin-3-ylamino)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-methylbenzamide.

What is the SMILES notation for SARS-CoV-2 PLpro Inhibitor, 59?

The canonical SMILES for SARS-CoV-2 PLpro Inhibitor, 59 is Cc1ccc(NC2CNC2)cc1C(=O)N[C@H](C)c1csc2ccccc12.

What is the InChIKey of SARS-CoV-2 PLpro Inhibitor, 59?

The InChIKey is LIVVQUMGFNDXGV-CQSZACIVSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-13-7-8-15(24-16-10-22-11-16)9-18(13)21(25)23-14(2)19-12-26-20-6-4-3-5-17(19)20/h3-9,12,14,16,22,24H,10-11H2,1-2H3,(H,23,25)/t14-/m1/s1.

What are the key properties of SARS-CoV-2 PLpro Inhibitor, 59?

SARS-CoV-2 PLpro Inhibitor, 59 has a molecular weight of 365.50 g/mol, XLogP of 4.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for SARS-CoV-2 PLpro Inhibitor, 59 is sourced from PubChem (CID 156907305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 156907305 — identifiers, structure, computed properties (public domain)

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