N-(2-benzoyl-4-methylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide

C27H28N2O5S — CID 16829294

IUPACN-(2-benzoyl-4-methylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3ccc(C)cc3C(=O)c3ccccc3)C2)cc1
InChIInChI=1S/C27H28N2O5S/c1-19-10-15-25(24(17-19)26(30)20-7-4-3-5-8-20)28-27(31)21-9-6-16-29(18-21)35(32,33)23-13-11-22(34-2)12-14-23/h3-5,7-8,10-15,17,21H,6,9,16,18H2,1-2H3,(H,28,31)
InChIKeySHGFTJDWCWCCPF-UHFFFAOYSA-N
MW492.60 g/mol
LogP4.27
Rot. Bonds7

About N-(2-benzoyl-4-methylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide

N-(2-benzoyl-4-methylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 16829294) has the molecular formula C27H28N2O5S and a molecular weight of 492.60 g/mol. Its IUPAC name is N-(2-benzoyl-4-methylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-methylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID16829294
Molecular FormulaC27H28N2O5S
Molecular Weight492.60 g/mol
Exact Mass492.17
IUPAC NameN-(2-benzoyl-4-methylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3ccc(C)cc3C(=O)c3ccccc3)C2)cc1
InChIInChI=1S/C27H28N2O5S/c1-19-10-15-25(24(17-19)26(30)20-7-4-3-5-8-20)28-27(31)21-9-6-16-29(18-21)35(32,33)23-13-11-22(34-2)12-14-23/h3-5,7-8,10-15,17,21H,6,9,16,18H2,1-2H3,(H,28,31)
InChIKeySHGFTJDWCWCCPF-UHFFFAOYSA-N
XLogP4.27
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.60
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-benzoyl-4-chlorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 16863407
N-(2-fluoro-4-methylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 55414147
N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 16863410
1-(benzenesulfonyl)-N-(2-benzoyl-4-chlorophenyl)piperidine-3-carboxamide
CID 16862444
(3S)-1-(benzenesulfonyl)-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 7379045
1-(benzenesulfonyl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 2985320
N-(2-benzoyl-4-methylphenyl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16935172
N-(2-benzoylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 100657242
(3S)-1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide
CID 1081613
(3R)-N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1078448
N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 3151849
1-(benzenesulfonyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 2991035

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-methylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(2-benzoyl-4-methylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide (CID 16829294) is N-(2-benzoyl-4-methylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-benzoyl-4-methylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-benzoyl-4-methylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide is COc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3ccc(C)cc3C(=O)c3ccccc3)C2)cc1.
What is the InChIKey of N-(2-benzoyl-4-methylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is SHGFTJDWCWCCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O5S/c1-19-10-15-25(24(17-19)26(30)20-7-4-3-5-8-20)28-27(31)21-9-6-16-29(18-21)35(32,33)23-13-11-22(34-2)12-14-23/h3-5,7-8,10-15,17,21H,6,9,16,18H2,1-2H3,(H,28,31).
What are the key properties of N-(2-benzoyl-4-methylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
N-(2-benzoyl-4-methylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 492.60 g/mol, XLogP of 4.27, 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-methylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 16829294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).