(2S)-N-(benzimidazol-1-yl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxamide

C19H17N5O3S — CID 34334592

IUPAC(2S)-N-(benzimidazol-1-yl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nn1cnc2ccccc21)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21
InChIInChI=1S/C19H17N5O3S/c25-19(21-24-12-20-14-7-2-3-8-15(14)24)16-9-5-11-23(16)18-13-6-1-4-10-17(13)28(26,27)22-18/h1-4,6-8,10,12,16H,5,9,11H2,(H,21,25)/t16-/m0/s1
InChIKeyONFPZCHZBYGLAD-INIZCTEOSA-N
MW395.44 g/mol
LogP1.72
Rot. Bonds2

About (2S)-N-(benzimidazol-1-yl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxamide

(2S)-N-(benzimidazol-1-yl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxamide (PubChem CID 34334592) has the molecular formula C19H17N5O3S and a molecular weight of 395.44 g/mol. Its IUPAC name is (2S)-N-(benzimidazol-1-yl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(benzimidazol-1-yl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxamide
PubChem CID34334592
Molecular FormulaC19H17N5O3S
Molecular Weight395.44 g/mol
Exact Mass395.11
IUPAC Name(2S)-N-(benzimidazol-1-yl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nn1cnc2ccccc21)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21
InChIInChI=1S/C19H17N5O3S/c25-19(21-24-12-20-14-7-2-3-8-15(14)24)16-9-5-11-23(16)18-13-6-1-4-10-17(13)28(26,27)22-18/h1-4,6-8,10,12,16H,5,9,11H2,(H,21,25)/t16-/m0/s1
InChIKeyONFPZCHZBYGLAD-INIZCTEOSA-N
XLogP1.72
TPSA96.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-N-(benzimidazol-1-yl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(benzimidazol-1-yl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(benzimidazol-1-yl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxamide (CID 34334592) is (2S)-N-(benzimidazol-1-yl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(benzimidazol-1-yl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(benzimidazol-1-yl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxamide is O=C(Nn1cnc2ccccc21)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21.
What is the InChIKey of (2S)-N-(benzimidazol-1-yl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxamide?
The InChIKey is ONFPZCHZBYGLAD-INIZCTEOSA-N. The full InChI is InChI=1S/C19H17N5O3S/c25-19(21-24-12-20-14-7-2-3-8-15(14)24)16-9-5-11-23(16)18-13-6-1-4-10-17(13)28(26,27)22-18/h1-4,6-8,10,12,16H,5,9,11H2,(H,21,25)/t16-/m0/s1.
What are the key properties of (2S)-N-(benzimidazol-1-yl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxamide?
(2S)-N-(benzimidazol-1-yl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxamide has a molecular weight of 395.44 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(benzimidazol-1-yl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 34334592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).