N-benzo[e][1,3]benzothiazol-2-yl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

C20H21N3O2S — CID 46597297

IUPACN-benzo[e][1,3]benzothiazol-2-yl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CN1CC(C(=O)Nc2nc3c(ccc4ccccc43)s2)CC1=O
InChIInChI=1S/C20H21N3O2S/c1-12(2)10-23-11-14(9-17(23)24)19(25)22-20-21-18-15-6-4-3-5-13(15)7-8-16(18)26-20/h3-8,12,14H,9-11H2,1-2H3,(H,21,22,25)
InChIKeyAHEZRXVFMLEKKR-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.89
Rot. Bonds4

About N-benzo[e][1,3]benzothiazol-2-yl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

N-benzo[e][1,3]benzothiazol-2-yl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 46597297) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-benzo[e][1,3]benzothiazol-2-yl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-benzo[e][1,3]benzothiazol-2-yl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID46597297
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-benzo[e][1,3]benzothiazol-2-yl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CN1CC(C(=O)Nc2nc3c(ccc4ccccc43)s2)CC1=O
InChIInChI=1S/C20H21N3O2S/c1-12(2)10-23-11-14(9-17(23)24)19(25)22-20-21-18-15-6-4-3-5-13(15)7-8-16(18)26-20/h3-8,12,14H,9-11H2,1-2H3,(H,21,22,25)
InChIKeyAHEZRXVFMLEKKR-UHFFFAOYSA-N
XLogP3.89
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzo[e][1,3]benzothiazol-2-yl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide 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

N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46596910
N-benzo[e][1,3]benzothiazol-2-yl-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 31490504
methyl 2-[[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 95859392
(3R)-1-butyl-N-(4-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 9399841
(3S)-1-[(2-chlorophenyl)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 8840432
N-benzo[e][1,3]benzothiazol-2-yl-2-(2-oxoazocan-1-yl)acetamide
CID 55755320
N-(1,3-benzothiazol-2-yl)-5-oxo-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 3536846
N-(1,3-benzothiazol-2-yl)-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 17082469
N-benzo[e][1,3]benzothiazol-2-yl-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 55630434
N-[4-(3-methylbutanoylamino)phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46597202
1-(2-methylpropyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 113182040
1-(2-methylpropyl)-5-oxo-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 46420018

Frequently Asked Questions

What is the IUPAC name of N-benzo[e][1,3]benzothiazol-2-yl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-benzo[e][1,3]benzothiazol-2-yl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (CID 46597297) is N-benzo[e][1,3]benzothiazol-2-yl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-benzo[e][1,3]benzothiazol-2-yl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-benzo[e][1,3]benzothiazol-2-yl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is CC(C)CN1CC(C(=O)Nc2nc3c(ccc4ccccc43)s2)CC1=O.
What is the InChIKey of N-benzo[e][1,3]benzothiazol-2-yl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AHEZRXVFMLEKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-12(2)10-23-11-14(9-17(23)24)19(25)22-20-21-18-15-6-4-3-5-13(15)7-8-16(18)26-20/h3-8,12,14H,9-11H2,1-2H3,(H,21,22,25).
What are the key properties of N-benzo[e][1,3]benzothiazol-2-yl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
N-benzo[e][1,3]benzothiazol-2-yl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzo[e][1,3]benzothiazol-2-yl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46597297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).