N-(2-benzoyl-4-chlorophenyl)-1-(2-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide

C26H25ClN2O4S2 — CID 16935002

IUPACN-(2-benzoyl-4-chlorophenyl)-1-(2-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCSc1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)CC1
InChIInChI=1S/C26H25ClN2O4S2/c1-34-23-9-5-6-10-24(23)35(32,33)29-15-13-19(14-16-29)26(31)28-22-12-11-20(27)17-21(22)25(30)18-7-3-2-4-8-18/h2-12,17,19H,13-16H2,1H3,(H,28,31)
InChIKeyJOGVAMKEWWCIOG-UHFFFAOYSA-N
MW529.08 g/mol
LogP5.33
Rot. Bonds7

About N-(2-benzoyl-4-chlorophenyl)-1-(2-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide

N-(2-benzoyl-4-chlorophenyl)-1-(2-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 16935002) has the molecular formula C26H25ClN2O4S2 and a molecular weight of 529.08 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-1-(2-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-1-(2-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID16935002
Molecular FormulaC26H25ClN2O4S2
Molecular Weight529.08 g/mol
Exact Mass528.09
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-1-(2-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCSc1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)CC1
InChIInChI=1S/C26H25ClN2O4S2/c1-34-23-9-5-6-10-24(23)35(32,33)29-15-13-19(14-16-29)26(31)28-22-12-11-20(27)17-21(22)25(30)18-7-3-2-4-8-18/h2-12,17,19H,13-16H2,1H3,(H,28,31)
InChIKeyJOGVAMKEWWCIOG-UHFFFAOYSA-N
XLogP5.33
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.08
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-benzoyl-4-chlorophenyl)-1-(2-methylsulfanylphenyl)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

1-(2-methylsulfanylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 16935009
N-(2-benzoyl-4-chlorophenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 17223887
(3R)-N-(2-benzoyl-4-chlorophenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 92671735
(3R)-N-(2-benzoyl-4-chlorophenyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 92689558
1-(benzenesulfonyl)-N-(2-benzoyl-4-chlorophenyl)piperidine-3-carboxamide
CID 16862444
(3S)-N-(2-benzoyl-4-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 98050950
N-(5-chloro-2-methylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 24635780
N-(2-benzoyl-4-chlorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 16863407
N-(2-chloro-4-fluorophenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 26692819
N-(3-bromophenyl)-1-(2-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 16935021
N-(2-benzoyl-4-methylphenyl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16935172
1-(2-methylsulfanylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 16828269

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-1-(2-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-1-(2-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide (CID 16935002) is N-(2-benzoyl-4-chlorophenyl)-1-(2-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-1-(2-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-1-(2-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide is CSc1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)CC1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-1-(2-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is JOGVAMKEWWCIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN2O4S2/c1-34-23-9-5-6-10-24(23)35(32,33)29-15-13-19(14-16-29)26(31)28-22-12-11-20(27)17-21(22)25(30)18-7-3-2-4-8-18/h2-12,17,19H,13-16H2,1H3,(H,28,31).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-1-(2-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide?
N-(2-benzoyl-4-chlorophenyl)-1-(2-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 529.08 g/mol, XLogP of 5.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-1-(2-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 16935002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).