N-[(2,6-dimethoxyphenyl)methyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide

C25H28N2O5S — CID 133159777

IUPACN-[(2,6-dimethoxyphenyl)methyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCOc1cccc(OC)c1CNC(=O)C1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C25H28N2O5S/c1-31-23-10-5-11-24(32-2)22(23)16-26-25(28)20-9-6-14-27(17-20)33(29,30)21-13-12-18-7-3-4-8-19(18)15-21/h3-5,7-8,10-13,15,20H,6,9,14,16-17H2,1-2H3,(H,26,28)
InChIKeyGUHWJWZTPLDGIC-UHFFFAOYSA-N
MW468.58 g/mol
LogP3.57
Rot. Bonds7

About N-[(2,6-dimethoxyphenyl)methyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide

N-[(2,6-dimethoxyphenyl)methyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 133159777) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is N-[(2,6-dimethoxyphenyl)methyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,6-dimethoxyphenyl)methyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID133159777
Molecular FormulaC25H28N2O5S
Molecular Weight468.58 g/mol
Exact Mass468.17
IUPAC NameN-[(2,6-dimethoxyphenyl)methyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCOc1cccc(OC)c1CNC(=O)C1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C25H28N2O5S/c1-31-23-10-5-11-24(32-2)22(23)16-26-25(28)20-9-6-14-27(17-20)33(29,30)21-13-12-18-7-3-4-8-19(18)15-21/h3-5,7-8,10-13,15,20H,6,9,14,16-17H2,1-2H3,(H,26,28)
InChIKeyGUHWJWZTPLDGIC-UHFFFAOYSA-N
XLogP3.57
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-[(2,6-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 100800260
1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-[(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 133163500
(3R)-1-naphthalen-2-ylsulfonyl-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide
CID 28562145
N-[(3,4-dimethoxyphenyl)methyl]-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 43872913
(3R)-N-benzyl-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 41302674
1-(1,3-benzodioxol-5-ylsulfonyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 3214811
(3S)-1-(3,4-dimethoxyphenyl)sulfonyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 28550303
1-naphthalen-2-ylsulfonyl-N-pentan-2-ylpiperidine-3-carboxamide
CID 4684175
(3S)-N-(2,6-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 40976117
(3R)-N-(2,6-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 40976116
(3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-(1-ethylindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92751327
(3S)-1-(4-methoxyphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861827

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethoxyphenyl)methyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[(2,6-dimethoxyphenyl)methyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide (CID 133159777) is N-[(2,6-dimethoxyphenyl)methyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(2,6-dimethoxyphenyl)methyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[(2,6-dimethoxyphenyl)methyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide is COc1cccc(OC)c1CNC(=O)C1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1.
What is the InChIKey of N-[(2,6-dimethoxyphenyl)methyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is GUHWJWZTPLDGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5S/c1-31-23-10-5-11-24(32-2)22(23)16-26-25(28)20-9-6-14-27(17-20)33(29,30)21-13-12-18-7-3-4-8-19(18)15-21/h3-5,7-8,10-13,15,20H,6,9,14,16-17H2,1-2H3,(H,26,28).
What are the key properties of N-[(2,6-dimethoxyphenyl)methyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide?
N-[(2,6-dimethoxyphenyl)methyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 468.58 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethoxyphenyl)methyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 133159777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).