N-(2-benzoyl-4-methylphenyl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide

C27H28N2O6S2 — CID 16935172

IUPACN-(2-benzoyl-4-methylphenyl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(S(C)(=O)=O)cc3)CC2)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C27H28N2O6S2/c1-19-8-13-25(24(18-19)26(30)20-6-4-3-5-7-20)28-27(31)21-14-16-29(17-15-21)37(34,35)23-11-9-22(10-12-23)36(2,32)33/h3-13,18,21H,14-17H2,1-2H3,(H,28,31)
InChIKeyKQCNUXPVCWLTGC-UHFFFAOYSA-N
MW540.66 g/mol
LogP3.67
Rot. Bonds7

About N-(2-benzoyl-4-methylphenyl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide

N-(2-benzoyl-4-methylphenyl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 16935172) has the molecular formula C27H28N2O6S2 and a molecular weight of 540.66 g/mol. Its IUPAC name is N-(2-benzoyl-4-methylphenyl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-methylphenyl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID16935172
Molecular FormulaC27H28N2O6S2
Molecular Weight540.66 g/mol
Exact Mass540.14
IUPAC NameN-(2-benzoyl-4-methylphenyl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(S(C)(=O)=O)cc3)CC2)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C27H28N2O6S2/c1-19-8-13-25(24(18-19)26(30)20-6-4-3-5-7-20)28-27(31)21-14-16-29(17-15-21)37(34,35)23-11-9-22(10-12-23)36(2,32)33/h3-13,18,21H,14-17H2,1-2H3,(H,28,31)
InChIKeyKQCNUXPVCWLTGC-UHFFFAOYSA-N
XLogP3.67
TPSA117.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.66
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-benzoyl-4-methylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 16829294
N-(2-benzoylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 100657242
N-(2-benzoyl-4-chlorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 16863407
1-(benzenesulfonyl)-N-(4-methyl-2-nitrophenyl)piperidine-4-carboxamide
CID 8815408
1-(4-methylphenyl)sulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 26905327
N-[2-(azepane-1-carbonyl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 100648831
1-(4-methylphenyl)sulfonyl-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 100648054
N-(2-bromo-4-methylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26774997
1-(2,4-dimethylphenyl)sulfonyl-N-(4-methylsulfonylphenyl)piperidine-4-carboxamide
CID 26239250
N-(2-benzoyl-4-chlorophenyl)-1-(2-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 16935002
N-(4-anilinophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 46652612
1-(benzenesulfonyl)-N-(2-benzoyl-4-chlorophenyl)piperidine-3-carboxamide
CID 16862444

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-methylphenyl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-benzoyl-4-methylphenyl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide (CID 16935172) is N-(2-benzoyl-4-methylphenyl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-benzoyl-4-methylphenyl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-benzoyl-4-methylphenyl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(S(C)(=O)=O)cc3)CC2)c(C(=O)c2ccccc2)c1.
What is the InChIKey of N-(2-benzoyl-4-methylphenyl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is KQCNUXPVCWLTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O6S2/c1-19-8-13-25(24(18-19)26(30)20-6-4-3-5-7-20)28-27(31)21-14-16-29(17-15-21)37(34,35)23-11-9-22(10-12-23)36(2,32)33/h3-13,18,21H,14-17H2,1-2H3,(H,28,31).
What are the key properties of N-(2-benzoyl-4-methylphenyl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide?
N-(2-benzoyl-4-methylphenyl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 540.66 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-methylphenyl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 16935172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).