1-[(4-methylphenyl)methylsulfonyl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-4-carboxamide

C25H28N4O5S2 — CID 43909876

IUPAC1-[(4-methylphenyl)methylsulfonyl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-4-carboxamide
SMILESCc1ccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)Nc4cccnc4)cc3)CC2)cc1
InChIInChI=1S/C25H28N4O5S2/c1-19-4-6-20(7-5-19)18-35(31,32)29-15-12-21(13-16-29)25(30)27-22-8-10-24(11-9-22)36(33,34)28-23-3-2-14-26-17-23/h2-11,14,17,21,28H,12-13,15-16,18H2,1H3,(H,27,30)
InChIKeyOMMAKCDZTDLRAU-UHFFFAOYSA-N
MW528.66 g/mol
LogP3.37
Rot. Bonds8

About 1-[(4-methylphenyl)methylsulfonyl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-4-carboxamide

1-[(4-methylphenyl)methylsulfonyl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-4-carboxamide (PubChem CID 43909876) has the molecular formula C25H28N4O5S2 and a molecular weight of 528.66 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methylsulfonyl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-methylphenyl)methylsulfonyl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-4-carboxamide
PubChem CID43909876
Molecular FormulaC25H28N4O5S2
Molecular Weight528.66 g/mol
Exact Mass528.15
IUPAC Name1-[(4-methylphenyl)methylsulfonyl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-4-carboxamide
SMILESCc1ccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)Nc4cccnc4)cc3)CC2)cc1
InChIInChI=1S/C25H28N4O5S2/c1-19-4-6-20(7-5-19)18-35(31,32)29-15-12-21(13-16-29)25(30)27-22-8-10-24(11-9-22)36(33,34)28-23-3-2-14-26-17-23/h2-11,14,17,21,28H,12-13,15-16,18H2,1H3,(H,27,30)
InChIKeyOMMAKCDZTDLRAU-UHFFFAOYSA-N
XLogP3.37
TPSA125.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.66
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-chlorophenyl)methylsulfonyl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 99940759
1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 43885429
1-[(4-bromophenyl)methylsulfonyl]-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]piperidine-4-carboxamide
CID 99940101
1-(3-phenylpropylsulfonyl)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 43904574
1-[(4-bromophenyl)methylsulfonyl]-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]piperidine-4-carboxamide
CID 43876150
1-[(4-chlorophenyl)methylsulfonyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]piperidine-4-carboxamide
CID 99952302
1-[(3-bromophenyl)methylsulfonyl]-N-[4-(phenylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 99941437
1-benzyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]piperidine-4-carboxamide
CID 45019498
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45021390
(3R)-1-(4-methoxyphenyl)sulfonyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 94864360
N-(4-piperidin-1-ylsulfonylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55603379
1-[(4-bromophenyl)methylsulfonyl]-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
CID 43885234

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methylsulfonyl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(4-methylphenyl)methylsulfonyl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-4-carboxamide (CID 43909876) is 1-[(4-methylphenyl)methylsulfonyl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-methylphenyl)methylsulfonyl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(4-methylphenyl)methylsulfonyl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-4-carboxamide is Cc1ccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)Nc4cccnc4)cc3)CC2)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methylsulfonyl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-4-carboxamide?
The InChIKey is OMMAKCDZTDLRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O5S2/c1-19-4-6-20(7-5-19)18-35(31,32)29-15-12-21(13-16-29)25(30)27-22-8-10-24(11-9-22)36(33,34)28-23-3-2-14-26-17-23/h2-11,14,17,21,28H,12-13,15-16,18H2,1H3,(H,27,30).
What are the key properties of 1-[(4-methylphenyl)methylsulfonyl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-4-carboxamide?
1-[(4-methylphenyl)methylsulfonyl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-4-carboxamide has a molecular weight of 528.66 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methylsulfonyl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 43909876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).