1-(2,5-dimethylphenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide

C22H28N2O3S — CID 133254889

IUPAC1-(2,5-dimethylphenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1cccc(CNC(=O)C2CCCN(S(=O)(=O)c3cc(C)ccc3C)C2)c1
InChIInChI=1S/C22H28N2O3S/c1-16-6-4-7-19(12-16)14-23-22(25)20-8-5-11-24(15-20)28(26,27)21-13-17(2)9-10-18(21)3/h4,6-7,9-10,12-13,20H,5,8,11,14-15H2,1-3H3,(H,23,25)
InChIKeyJXNBGZBYDVTROB-UHFFFAOYSA-N
MW400.54 g/mol
LogP3.33
Rot. Bonds5

About 1-(2,5-dimethylphenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide

1-(2,5-dimethylphenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 133254889) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
PubChem CID133254889
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC Name1-(2,5-dimethylphenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1cccc(CNC(=O)C2CCCN(S(=O)(=O)c3cc(C)ccc3C)C2)c1
InChIInChI=1S/C22H28N2O3S/c1-16-6-4-7-19(12-16)14-23-22(25)20-8-5-11-24(15-20)28(26,27)21-13-17(2)9-10-18(21)3/h4,6-7,9-10,12-13,20H,5,8,11,14-15H2,1-3H3,(H,23,25)
InChIKeyJXNBGZBYDVTROB-UHFFFAOYSA-N
XLogP3.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,5-dimethylphenyl)sulfonyl-N-[(3-methylphenyl)methyl]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

(3R)-N-benzyl-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 100779953
(3R)-1-(2,5-dimethylphenyl)sulfonyl-N-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
CID 100779760
1-ethylsulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 47001087
(3S)-1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide
CID 94764138
1-(2,5-dichlorophenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 133159708
(3R)-1-(2,5-dimethylphenyl)sulfonyl-N-propylpiperidine-3-carboxamide
CID 94381355
(3R)-1-benzylsulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 92642299
1-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 50764467
1-(2,5-dimethylphenyl)sulfonyl-N-(3-methylbutyl)piperidine-3-carboxamide
CID 133254996
N-[(3-methylphenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 20887286
1-(2,5-dimethylphenyl)sulfonyl-N-pentylpiperidine-3-carboxamide
CID 133254995
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 110335780

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide (CID 133254889) is 1-(2,5-dimethylphenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(2,5-dimethylphenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(2,5-dimethylphenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide is Cc1cccc(CNC(=O)C2CCCN(S(=O)(=O)c3cc(C)ccc3C)C2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is JXNBGZBYDVTROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-16-6-4-7-19(12-16)14-23-22(25)20-8-5-11-24(15-20)28(26,27)21-13-17(2)9-10-18(21)3/h4,6-7,9-10,12-13,20H,5,8,11,14-15H2,1-3H3,(H,23,25).
What are the key properties of 1-(2,5-dimethylphenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide?
1-(2,5-dimethylphenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 400.54 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 133254889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).