N-(6-acetamido-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide

C19H20N4O4S3 — CID 16826295

IUPACN-(6-acetamido-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
SMILESCC(=O)Nc1ccc2nc(NC(=O)C3CCCCN3S(=O)(=O)c3cccs3)sc2c1
InChIInChI=1S/C19H20N4O4S3/c1-12(24)20-13-7-8-14-16(11-13)29-19(21-14)22-18(25)15-5-2-3-9-23(15)30(26,27)17-6-4-10-28-17/h4,6-8,10-11,15H,2-3,5,9H2,1H3,(H,20,24)(H,21,22,25)
InChIKeyAJDYDDBFEWSBDU-UHFFFAOYSA-N
MW464.59 g/mol
LogP3.50
Rot. Bonds5

About N-(6-acetamido-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide

N-(6-acetamido-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide (PubChem CID 16826295) has the molecular formula C19H20N4O4S3 and a molecular weight of 464.59 g/mol. Its IUPAC name is N-(6-acetamido-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(6-acetamido-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
PubChem CID16826295
Molecular FormulaC19H20N4O4S3
Molecular Weight464.59 g/mol
Exact Mass464.06
IUPAC NameN-(6-acetamido-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
SMILESCC(=O)Nc1ccc2nc(NC(=O)C3CCCCN3S(=O)(=O)c3cccs3)sc2c1
InChIInChI=1S/C19H20N4O4S3/c1-12(24)20-13-7-8-14-16(11-13)29-19(21-14)22-18(25)15-5-2-3-9-23(15)30(26,27)17-6-4-10-28-17/h4,6-8,10-11,15H,2-3,5,9H2,1H3,(H,20,24)(H,21,22,25)
InChIKeyAJDYDDBFEWSBDU-UHFFFAOYSA-N
XLogP3.50
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(6-acetamido-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-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-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 16825969
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 16826480
N-(4-methyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 16826294
N-(2-acetamido-1,3-benzothiazol-6-yl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 55769566
(2R)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 27545897
N-(6-methyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 3242369
(2R)-N-(2-methyl-1,3-benzoxazol-6-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 99702000
(2R)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 41166645
(2R)-N-(1-benzothiophen-5-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614806
N-(3,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110341686
(2S)-N-(4-methylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 27452267
N-(6-propan-2-yl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 16830572

Frequently Asked Questions

What is the IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide?
The IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide (CID 16826295) is N-(6-acetamido-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide.
What is the SMILES notation for N-(6-acetamido-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide?
The canonical SMILES for N-(6-acetamido-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide is CC(=O)Nc1ccc2nc(NC(=O)C3CCCCN3S(=O)(=O)c3cccs3)sc2c1.
What is the InChIKey of N-(6-acetamido-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide?
The InChIKey is AJDYDDBFEWSBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S3/c1-12(24)20-13-7-8-14-16(11-13)29-19(21-14)22-18(25)15-5-2-3-9-23(15)30(26,27)17-6-4-10-28-17/h4,6-8,10-11,15H,2-3,5,9H2,1H3,(H,20,24)(H,21,22,25).
What are the key properties of N-(6-acetamido-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide?
N-(6-acetamido-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide has a molecular weight of 464.59 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamido-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 16826295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).