N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)cyclobutanecarboxamide

C17H24N2O3S — CID 7695818

IUPACN-(2-methyl-5-piperidin-1-ylsulfonylphenyl)cyclobutanecarboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1CCC1
InChIInChI=1S/C17H24N2O3S/c1-13-8-9-15(23(21,22)19-10-3-2-4-11-19)12-16(13)18-17(20)14-6-5-7-14/h8-9,12,14H,2-7,10-11H2,1H3,(H,18,20)
InChIKeyMDARFMXXERSGBI-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.91
Rot. Bonds4

About N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)cyclobutanecarboxamide

N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)cyclobutanecarboxamide (PubChem CID 7695818) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(2-methyl-5-piperidin-1-ylsulfonylphenyl)cyclobutanecarboxamide
PubChem CID7695818
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC NameN-(2-methyl-5-piperidin-1-ylsulfonylphenyl)cyclobutanecarboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1CCC1
InChIInChI=1S/C17H24N2O3S/c1-13-8-9-15(23(21,22)19-10-3-2-4-11-19)12-16(13)18-17(20)14-6-5-7-14/h8-9,12,14H,2-7,10-11H2,1H3,(H,18,20)
InChIKeyMDARFMXXERSGBI-UHFFFAOYSA-N
XLogP2.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-{5-[(dimethylamino)sulfonyl]-2-methylphenyl}-3-phenylpropanamide
CID 2812928
N-[4-(3,4-dihydro-1(2H)-quinolinylsulfonyl)phenyl]acetamide
CID 720097
1-benzyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 4884161
N-(4-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
CID 1013273
(2S)-N-(2-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 1548195
N-{5-[(dimethylamino)sulfonyl]-2-methylphenyl}cyclohexanecarboxamide
CID 2812913
1-[(4-Methyl-3-nitrophenyl)sulfonyl]piperidine-4-carboxamide
CID 2836756
4-(Pyrrolidine-1-sulfonyl)-N-o-tolyl-benzamide
CID 3147990
4-cyclohexyl-N-(3-sulfamoylphenyl)butanamide
CID 3919954
2-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-1H-quinoline-4-carboxamide
CID 3929877
N-(3-piperidin-1-ylsulfonylphenyl)cyclopentanecarboxamide
CID 3934723
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-pyrrolidin-1-ylacetamide
CID 4606555

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)cyclobutanecarboxamide?
The IUPAC name of N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)cyclobutanecarboxamide (CID 7695818) is N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)cyclobutanecarboxamide.
What is the SMILES notation for N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)cyclobutanecarboxamide?
The canonical SMILES for N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)cyclobutanecarboxamide is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1CCC1.
What is the InChIKey of N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)cyclobutanecarboxamide?
The InChIKey is MDARFMXXERSGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-13-8-9-15(23(21,22)19-10-3-2-4-11-19)12-16(13)18-17(20)14-6-5-7-14/h8-9,12,14H,2-7,10-11H2,1H3,(H,18,20).
What are the key properties of N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)cyclobutanecarboxamide?
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)cyclobutanecarboxamide has a molecular weight of 336.46 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)cyclobutanecarboxamide is sourced from PubChem (CID 7695818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).