1-(benzenesulfonyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-3-carboxamide

C26H25N3O3S2 — CID 16828872

IUPAC1-(benzenesulfonyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-3-carboxamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)C4CCCN(S(=O)(=O)c5ccccc5)C4)cc3)sc2c1
InChIInChI=1S/C26H25N3O3S2/c1-18-9-14-23-24(16-18)33-26(28-23)19-10-12-21(13-11-19)27-25(30)20-6-5-15-29(17-20)34(31,32)22-7-3-2-4-8-22/h2-4,7-14,16,20H,5-6,15,17H2,1H3,(H,27,30)
InChIKeySRXUOFYPPMPXIW-UHFFFAOYSA-N
MW491.64 g/mol
LogP5.31
Rot. Bonds5

About 1-(benzenesulfonyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-3-carboxamide

1-(benzenesulfonyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-3-carboxamide (PubChem CID 16828872) has the molecular formula C26H25N3O3S2 and a molecular weight of 491.64 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-3-carboxamide
PubChem CID16828872
Molecular FormulaC26H25N3O3S2
Molecular Weight491.64 g/mol
Exact Mass491.13
IUPAC Name1-(benzenesulfonyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-3-carboxamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)C4CCCN(S(=O)(=O)c5ccccc5)C4)cc3)sc2c1
InChIInChI=1S/C26H25N3O3S2/c1-18-9-14-23-24(16-18)33-26(28-23)19-10-12-21(13-11-19)27-25(30)20-6-5-15-29(17-20)34(31,32)22-7-3-2-4-8-22/h2-4,7-14,16,20H,5-6,15,17H2,1H3,(H,27,30)
InChIKeySRXUOFYPPMPXIW-UHFFFAOYSA-N
XLogP5.31
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.64
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(benzenesulfonyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-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

1-(4-fluorophenyl)sulfonyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-3-carboxamide
CID 16861454
1-(benzenesulfonyl)-N-[3-(1,3-benzothiazol-2-yl)phenyl]piperidine-3-carboxamide
CID 16828948
(3R)-1-(4-methylphenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100664460
N-(4-methylphenyl)-1-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]piperidine-3-carboxamide
CID 6624076
1-(benzenesulfonyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 16828884
(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 100659269
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 22197212
1-(benzenesulfonyl)-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 3153019
(3R)-N-(3-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1078458
(3S)-1-(benzenesulfonyl)-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 7283911
1-(benzenesulfonyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 2991035
1-butylsulfonyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 52639048

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-3-carboxamide (CID 16828872) is 1-(benzenesulfonyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-3-carboxamide is Cc1ccc2nc(-c3ccc(NC(=O)C4CCCN(S(=O)(=O)c5ccccc5)C4)cc3)sc2c1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-3-carboxamide?
The InChIKey is SRXUOFYPPMPXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3S2/c1-18-9-14-23-24(16-18)33-26(28-23)19-10-12-21(13-11-19)27-25(30)20-6-5-15-29(17-20)34(31,32)22-7-3-2-4-8-22/h2-4,7-14,16,20H,5-6,15,17H2,1H3,(H,27,30).
What are the key properties of 1-(benzenesulfonyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-3-carboxamide?
1-(benzenesulfonyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-3-carboxamide has a molecular weight of 491.64 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 16828872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).