N-(2-acetamido-1,3-benzothiazol-6-yl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide

C23H26N4O4S2 — CID 55769566

IUPACN-(2-acetamido-1,3-benzothiazol-6-yl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCC(=O)Nc1nc2ccc(NC(=O)C3CCCN3S(=O)(=O)c3c(C)cc(C)cc3C)cc2s1
InChIInChI=1S/C23H26N4O4S2/c1-13-10-14(2)21(15(3)11-13)33(30,31)27-9-5-6-19(27)22(29)25-17-7-8-18-20(12-17)32-23(26-18)24-16(4)28/h7-8,10-12,19H,5-6,9H2,1-4H3,(H,25,29)(H,24,26,28)
InChIKeyQPSQSJXBXAAILD-UHFFFAOYSA-N
MW486.62 g/mol
LogP3.97
Rot. Bonds5

About N-(2-acetamido-1,3-benzothiazol-6-yl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide

N-(2-acetamido-1,3-benzothiazol-6-yl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 55769566) has the molecular formula C23H26N4O4S2 and a molecular weight of 486.62 g/mol. Its IUPAC name is N-(2-acetamido-1,3-benzothiazol-6-yl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-acetamido-1,3-benzothiazol-6-yl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID55769566
Molecular FormulaC23H26N4O4S2
Molecular Weight486.62 g/mol
Exact Mass486.14
IUPAC NameN-(2-acetamido-1,3-benzothiazol-6-yl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCC(=O)Nc1nc2ccc(NC(=O)C3CCCN3S(=O)(=O)c3c(C)cc(C)cc3C)cc2s1
InChIInChI=1S/C23H26N4O4S2/c1-13-10-14(2)21(15(3)11-13)33(30,31)27-9-5-6-19(27)22(29)25-17-7-8-18-20(12-17)32-23(26-18)24-16(4)28/h7-8,10-12,19H,5-6,9H2,1-4H3,(H,25,29)(H,24,26,28)
InChIKeyQPSQSJXBXAAILD-UHFFFAOYSA-N
XLogP3.97
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-acetamido-1,3-benzothiazol-6-yl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-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

Related Compounds

N-(4-acetamidophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 18154365
N-(6-acetamido-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 16826295
N-(5-methyl-1,3-thiazol-2-yl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 46517734
(2S)-1-(5-bromothiophen-2-yl)sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 25493284
1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methyl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide
CID 16830844
N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 46518000
N-(2-oxochromen-6-yl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 60522629
1-(2-fluorophenyl)sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 24644596
methyl 3-[[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]benzoate
CID 18155623
(2S)-1-methylsulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 27452375
methyl 1-methyl-4-[(2R)-2-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]pyrrolidin-1-yl]sulfonylpyrrole-2-carboxylate
CID 93052612
N-[4-(difluoromethoxy)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 18154914

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-1,3-benzothiazol-6-yl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-acetamido-1,3-benzothiazol-6-yl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide (CID 55769566) is N-(2-acetamido-1,3-benzothiazol-6-yl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-acetamido-1,3-benzothiazol-6-yl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-acetamido-1,3-benzothiazol-6-yl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide is CC(=O)Nc1nc2ccc(NC(=O)C3CCCN3S(=O)(=O)c3c(C)cc(C)cc3C)cc2s1.
What is the InChIKey of N-(2-acetamido-1,3-benzothiazol-6-yl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is QPSQSJXBXAAILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4S2/c1-13-10-14(2)21(15(3)11-13)33(30,31)27-9-5-6-19(27)22(29)25-17-7-8-18-20(12-17)32-23(26-18)24-16(4)28/h7-8,10-12,19H,5-6,9H2,1-4H3,(H,25,29)(H,24,26,28).
What are the key properties of N-(2-acetamido-1,3-benzothiazol-6-yl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide?
N-(2-acetamido-1,3-benzothiazol-6-yl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 486.62 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-1,3-benzothiazol-6-yl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 55769566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).