N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide

C19H22N4O5S4 — CID 16825969

IUPACN-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc2nc(NC(=O)C3CCCCN3S(=O)(=O)c3cccs3)sc2c1
InChIInChI=1S/C19H22N4O5S4/c1-22(2)31(25,26)13-8-9-14-16(12-13)30-19(20-14)21-18(24)15-6-3-4-10-23(15)32(27,28)17-7-5-11-29-17/h5,7-9,11-12,15H,3-4,6,10H2,1-2H3,(H,20,21,24)
InChIKeyLIVPNFACGTZKOA-UHFFFAOYSA-N
MW514.68 g/mol
LogP2.79
Rot. Bonds6

About N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide

N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide (PubChem CID 16825969) has the molecular formula C19H22N4O5S4 and a molecular weight of 514.68 g/mol. Its IUPAC name is N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
PubChem CID16825969
Molecular FormulaC19H22N4O5S4
Molecular Weight514.68 g/mol
Exact Mass514.05
IUPAC NameN-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc2nc(NC(=O)C3CCCCN3S(=O)(=O)c3cccs3)sc2c1
InChIInChI=1S/C19H22N4O5S4/c1-22(2)31(25,26)13-8-9-14-16(12-13)30-19(20-14)21-18(24)15-6-3-4-10-23(15)32(27,28)17-7-5-11-29-17/h5,7-9,11-12,15H,3-4,6,10H2,1-2H3,(H,20,21,24)
InChIKeyLIVPNFACGTZKOA-UHFFFAOYSA-N
XLogP2.79
TPSA116.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.68
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[6-(dimethylsulfamoyl)-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-acetamido-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 16826295
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-(6-methyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 3242369
(2R)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 27545897
N-(6-propan-2-yl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 16830572
(2R)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 41166645
(2S)-1-(4-chlorophenyl)sulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-2-carboxamide
CID 26857146
(2S)-N-(4-methylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 27452267
(2S)-1-methylsulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 27452375
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55559117
(2S)-1-(5-bromothiophen-2-yl)sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 25493284

Frequently Asked Questions

What is the IUPAC name of N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide?
The IUPAC name of N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide (CID 16825969) is N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide.
What is the SMILES notation for N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide?
The canonical SMILES for N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide is CN(C)S(=O)(=O)c1ccc2nc(NC(=O)C3CCCCN3S(=O)(=O)c3cccs3)sc2c1.
What is the InChIKey of N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide?
The InChIKey is LIVPNFACGTZKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5S4/c1-22(2)31(25,26)13-8-9-14-16(12-13)30-19(20-14)21-18(24)15-6-3-4-10-23(15)32(27,28)17-7-5-11-29-17/h5,7-9,11-12,15H,3-4,6,10H2,1-2H3,(H,20,21,24).
What are the key properties of N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide?
N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide has a molecular weight of 514.68 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 16825969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).