N-(2,5-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide

C24H26N2O3S — CID 4530655

IUPACN-(2,5-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCc1ccc(C)c(NC(=O)C2CCCN(S(=O)(=O)c3ccc4ccccc4c3)C2)c1
InChIInChI=1S/C24H26N2O3S/c1-17-9-10-18(2)23(14-17)25-24(27)21-8-5-13-26(16-21)30(28,29)22-12-11-19-6-3-4-7-20(19)15-22/h3-4,6-7,9-12,14-15,21H,5,8,13,16H2,1-2H3,(H,25,27)
InChIKeyQSBMQKQZISXKCD-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.50
Rot. Bonds4

About N-(2,5-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide

N-(2,5-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 4530655) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID4530655
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC NameN-(2,5-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCc1ccc(C)c(NC(=O)C2CCCN(S(=O)(=O)c3ccc4ccccc4c3)C2)c1
InChIInChI=1S/C24H26N2O3S/c1-17-9-10-18(2)23(14-17)25-24(27)21-8-5-13-26(16-21)30(28,29)22-12-11-19-6-3-4-7-20(19)15-22/h3-4,6-7,9-12,14-15,21H,5,8,13,16H2,1-2H3,(H,25,27)
InChIKeyQSBMQKQZISXKCD-UHFFFAOYSA-N
XLogP4.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 133159808
(3R)-N-(2,6-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 40976116
(3S)-N-(2,6-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 40976117
(3R)-N-(2-methyl-6-propan-2-ylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 40976126
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 133159453
(3R)-1-(4-methylphenyl)sulfonyl-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 1078452
(3S)-N-(2-acetamidophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 30156119
N-(2-bromo-4-methylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26774997
N-(2,5-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826177
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
CID 18074440
(3S)-1-(4-methoxyphenyl)sulfonyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 100800715
1-naphthalen-2-ylsulfonyl-N-pentan-2-ylpiperidine-3-carboxamide
CID 4684175

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide (CID 4530655) is N-(2,5-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide is Cc1ccc(C)c(NC(=O)C2CCCN(S(=O)(=O)c3ccc4ccccc4c3)C2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is QSBMQKQZISXKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-17-9-10-18(2)23(14-17)25-24(27)21-8-5-13-26(16-21)30(28,29)22-12-11-19-6-3-4-7-20(19)15-22/h3-4,6-7,9-12,14-15,21H,5,8,13,16H2,1-2H3,(H,25,27).
What are the key properties of N-(2,5-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide?
N-(2,5-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 422.55 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 4530655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).