N-(4-ethoxy-1,3-benzothiazol-2-yl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide

C22H25N3O6S3 — CID 16828488

IUPACN-(4-ethoxy-1,3-benzothiazol-2-yl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCOc1cccc2sc(NC(=O)C3CCN(S(=O)(=O)c4ccc(S(C)(=O)=O)cc4)CC3)nc12
InChIInChI=1S/C22H25N3O6S3/c1-3-31-18-5-4-6-19-20(18)23-22(32-19)24-21(26)15-11-13-25(14-12-15)34(29,30)17-9-7-16(8-10-17)33(2,27)28/h4-10,15H,3,11-14H2,1-2H3,(H,23,24,26)
InChIKeySDWNRPTZVKDOOU-UHFFFAOYSA-N
MW523.66 g/mol
LogP3.14
Rot. Bonds7

About N-(4-ethoxy-1,3-benzothiazol-2-yl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide

N-(4-ethoxy-1,3-benzothiazol-2-yl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 16828488) has the molecular formula C22H25N3O6S3 and a molecular weight of 523.66 g/mol. Its IUPAC name is N-(4-ethoxy-1,3-benzothiazol-2-yl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxy-1,3-benzothiazol-2-yl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID16828488
Molecular FormulaC22H25N3O6S3
Molecular Weight523.66 g/mol
Exact Mass523.09
IUPAC NameN-(4-ethoxy-1,3-benzothiazol-2-yl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCOc1cccc2sc(NC(=O)C3CCN(S(=O)(=O)c4ccc(S(C)(=O)=O)cc4)CC3)nc12
InChIInChI=1S/C22H25N3O6S3/c1-3-31-18-5-4-6-19-20(18)23-22(32-19)24-21(26)15-11-13-25(14-12-15)34(29,30)17-9-7-16(8-10-17)33(2,27)28/h4-10,15H,3,11-14H2,1-2H3,(H,23,24,26)
InChIKeySDWNRPTZVKDOOU-UHFFFAOYSA-N
XLogP3.14
TPSA122.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.66
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(4-ethoxy-1,3-benzothiazol-2-yl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-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-fluoro-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 16831616
1-(3,4-difluorophenyl)sulfonyl-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 31892415
N'-(4-ethoxy-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 16825080
1-(4-chlorophenyl)sulfonyl-N-(4-ethoxy-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 16827733
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 31892479
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 2152308
N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16828534
N-benzo[e][1,3]benzothiazol-2-yl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 16831696
(3S)-1-(2-amino-2-oxoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 92627037
N-(4-chloro-1,3-benzothiazol-2-yl)-1-(2-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16828311
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16828556
N-(4-methoxy-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 16829090

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-1,3-benzothiazol-2-yl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4-ethoxy-1,3-benzothiazol-2-yl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide (CID 16828488) is N-(4-ethoxy-1,3-benzothiazol-2-yl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-ethoxy-1,3-benzothiazol-2-yl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-ethoxy-1,3-benzothiazol-2-yl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide is CCOc1cccc2sc(NC(=O)C3CCN(S(=O)(=O)c4ccc(S(C)(=O)=O)cc4)CC3)nc12.
What is the InChIKey of N-(4-ethoxy-1,3-benzothiazol-2-yl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is SDWNRPTZVKDOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O6S3/c1-3-31-18-5-4-6-19-20(18)23-22(32-19)24-21(26)15-11-13-25(14-12-15)34(29,30)17-9-7-16(8-10-17)33(2,27)28/h4-10,15H,3,11-14H2,1-2H3,(H,23,24,26).
What are the key properties of N-(4-ethoxy-1,3-benzothiazol-2-yl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide?
N-(4-ethoxy-1,3-benzothiazol-2-yl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 523.66 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-1,3-benzothiazol-2-yl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 16828488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).