N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide

C27H37N3O5S2 — CID 4849484

IUPACN-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3C)CC2)c(C)c1
InChIInChI=1S/C27H37N3O5S2/c1-19-16-21(3)26(22(4)17-19)37(34,35)30-14-10-23(11-15-30)27(31)28-25-18-24(9-8-20(25)2)36(32,33)29-12-6-5-7-13-29/h8-9,16-18,23H,5-7,10-15H2,1-4H3,(H,28,31)
InChIKeyMVFOTHQYJVBZBV-UHFFFAOYSA-N
MW547.74 g/mol
LogP4.13
Rot. Bonds6

About N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide

N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 4849484) has the molecular formula C27H37N3O5S2 and a molecular weight of 547.74 g/mol. Its IUPAC name is N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID4849484
Molecular FormulaC27H37N3O5S2
Molecular Weight547.74 g/mol
Exact Mass547.22
IUPAC NameN-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3C)CC2)c(C)c1
InChIInChI=1S/C27H37N3O5S2/c1-19-16-21(3)26(22(4)17-19)37(34,35)30-14-10-23(11-15-30)27(31)28-25-18-24(9-8-20(25)2)36(32,33)29-12-6-5-7-13-29/h8-9,16-18,23H,5-7,10-15H2,1-4H3,(H,28,31)
InChIKeyMVFOTHQYJVBZBV-UHFFFAOYSA-N
XLogP4.13
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.74
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
CID 18074440
N-(5-fluoro-2-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26410449
N-(2-chlorophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 21372919
N-(2-chloro-4-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26253473
1-(3,4-dimethylphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 8759981
N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 28561956
N-(2,4-difluorophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 1211082
N-(2-methoxy-5-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26414036
1-(4-methylphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 1077687
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 26521726
1-(4-chlorophenyl)sulfonyl-N-[5-(dimethylsulfamoyl)-2-methylphenyl]piperidine-4-carboxamide
CID 100798905
N-(5-chloro-2-methylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 30843616

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide (CID 4849484) is N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide is Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3C)CC2)c(C)c1.
What is the InChIKey of N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is MVFOTHQYJVBZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O5S2/c1-19-16-21(3)26(22(4)17-19)37(34,35)30-14-10-23(11-15-30)27(31)28-25-18-24(9-8-20(25)2)36(32,33)29-12-6-5-7-13-29/h8-9,16-18,23H,5-7,10-15H2,1-4H3,(H,28,31).
What are the key properties of N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 547.74 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 4849484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).