(3R)-1-[(2,4-dichlorophenyl)methyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]piperidine-3-carboxamide

C22H27Cl2N3O3S — CID 100778121

IUPAC(3R)-1-[(2,4-dichlorophenyl)methyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]piperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C22H27Cl2N3O3S/c1-15-6-9-19(31(29,30)26(2)3)12-21(15)25-22(28)17-5-4-10-27(14-17)13-16-7-8-18(23)11-20(16)24/h6-9,11-12,17H,4-5,10,13-14H2,1-3H3,(H,25,28)/t17-/m1/s1
InChIKeyLPSBLBFGSVLCJR-QGZVFWFLSA-N
MW484.45 g/mol
LogP4.40
Rot. Bonds6

About (3R)-1-[(2,4-dichlorophenyl)methyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]piperidine-3-carboxamide

(3R)-1-[(2,4-dichlorophenyl)methyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]piperidine-3-carboxamide (PubChem CID 100778121) has the molecular formula C22H27Cl2N3O3S and a molecular weight of 484.45 g/mol. Its IUPAC name is (3R)-1-[(2,4-dichlorophenyl)methyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(2,4-dichlorophenyl)methyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]piperidine-3-carboxamide
PubChem CID100778121
Molecular FormulaC22H27Cl2N3O3S
Molecular Weight484.45 g/mol
Exact Mass483.12
IUPAC Name(3R)-1-[(2,4-dichlorophenyl)methyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]piperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C22H27Cl2N3O3S/c1-15-6-9-19(31(29,30)26(2)3)12-21(15)25-22(28)17-5-4-10-27(14-17)13-16-7-8-18(23)11-20(16)24/h6-9,11-12,17H,4-5,10,13-14H2,1-3H3,(H,25,28)/t17-/m1/s1
InChIKeyLPSBLBFGSVLCJR-QGZVFWFLSA-N
XLogP4.40
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.45
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[(2,6-dichlorophenyl)methyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]piperidine-3-carboxamide
CID 100778503
N-(4-chloro-2-methylphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43921563
N-(5-chloro-2-methylphenyl)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43921598
(3S)-N-(3-chloro-2-methylphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 93491505
1-[(2,4-dichlorophenyl)methyl]-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide
CID 43926100
1-[(2,4-dichlorophenyl)methyl]-N-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 43919181
1-[(2,4-dichlorophenyl)methyl]-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 43919301
1-(4-chlorophenyl)sulfonyl-N-[5-(dimethylsulfamoyl)-2-methylphenyl]piperidine-4-carboxamide
CID 100798905
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(3,5-dimethylphenyl)piperidine-3-carboxamide
CID 93490424
N-(5-chloro-2-methylphenyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43921605
(3R)-N-(5-chloro-2-methoxyphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 93491426
(3S)-1-benzyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 100777396

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2,4-dichlorophenyl)methyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(2,4-dichlorophenyl)methyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]piperidine-3-carboxamide (CID 100778121) is (3R)-1-[(2,4-dichlorophenyl)methyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(2,4-dichlorophenyl)methyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(2,4-dichlorophenyl)methyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]piperidine-3-carboxamide is Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of (3R)-1-[(2,4-dichlorophenyl)methyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]piperidine-3-carboxamide?
The InChIKey is LPSBLBFGSVLCJR-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H27Cl2N3O3S/c1-15-6-9-19(31(29,30)26(2)3)12-21(15)25-22(28)17-5-4-10-27(14-17)13-16-7-8-18(23)11-20(16)24/h6-9,11-12,17H,4-5,10,13-14H2,1-3H3,(H,25,28)/t17-/m1/s1.
What are the key properties of (3R)-1-[(2,4-dichlorophenyl)methyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]piperidine-3-carboxamide?
(3R)-1-[(2,4-dichlorophenyl)methyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]piperidine-3-carboxamide has a molecular weight of 484.45 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2,4-dichlorophenyl)methyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]piperidine-3-carboxamide is sourced from PubChem (CID 100778121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).