N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide

C25H29N3O5S2 — CID 133159808

IUPACN-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C25H29N3O5S2/c1-18-10-12-23(34(30,31)27(2)3)16-24(18)26-25(29)21-9-6-14-28(17-21)35(32,33)22-13-11-19-7-4-5-8-20(19)15-22/h4-5,7-8,10-13,15-16,21H,6,9,14,17H2,1-3H3,(H,26,29)
InChIKeyJBIACDGYPKCDOR-UHFFFAOYSA-N
MW515.66 g/mol
LogP3.44
Rot. Bonds6

About N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 133159808) has the molecular formula C25H29N3O5S2 and a molecular weight of 515.66 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID133159808
Molecular FormulaC25H29N3O5S2
Molecular Weight515.66 g/mol
Exact Mass515.15
IUPAC NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C25H29N3O5S2/c1-18-10-12-23(34(30,31)27(2)3)16-24(18)26-25(29)21-9-6-14-28(17-21)35(32,33)22-13-11-19-7-4-5-8-20(19)15-22/h4-5,7-8,10-13,15-16,21H,6,9,14,17H2,1-3H3,(H,26,29)
InChIKeyJBIACDGYPKCDOR-UHFFFAOYSA-N
XLogP3.44
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.66
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 4530655
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 133159453
(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
(3R)-N-(2-methyl-6-propan-2-ylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 40976126
1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-[5-(dimethylsulfamoyl)-2-methylphenyl]piperidine-3-carboxamide
CID 133163529
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
(3S)-1-(dimethylsulfamoyl)-N-naphthalen-2-ylpiperidine-3-carboxamide
CID 30397988
(3S)-1-[(2,6-dichlorophenyl)methyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]piperidine-3-carboxamide
CID 100778503
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 27151827
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 26521726

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide (CID 133159808) is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide is Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is JBIACDGYPKCDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O5S2/c1-18-10-12-23(34(30,31)27(2)3)16-24(18)26-25(29)21-9-6-14-28(17-21)35(32,33)22-13-11-19-7-4-5-8-20(19)15-22/h4-5,7-8,10-13,15-16,21H,6,9,14,17H2,1-3H3,(H,26,29).
What are the key properties of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide?
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 515.66 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 133159808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).