N-[4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]phenyl]cyclohexanecarboxamide

C24H36N2O4S — CID 58145025

IUPACN-[4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]phenyl]cyclohexanecarboxamide
SMILESCC(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(NC(=O)C3CCCCC3)cc2)CC1
InChIInChI=1S/C24H36N2O4S/c1-18(2)31(29,30)17-20-12-14-26(15-13-20)23(27)16-19-8-10-22(11-9-19)25-24(28)21-6-4-3-5-7-21/h8-11,18,20-21H,3-7,12-17H2,1-2H3,(H,25,28)
InChIKeyQMOWBJPVHBUPJB-UHFFFAOYSA-N
MW448.63 g/mol
LogP3.81
Rot. Bonds7

About N-[4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]phenyl]cyclohexanecarboxamide

N-[4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]phenyl]cyclohexanecarboxamide (PubChem CID 58145025) has the molecular formula C24H36N2O4S and a molecular weight of 448.63 g/mol. Its IUPAC name is N-[4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]phenyl]cyclohexanecarboxamide
PubChem CID58145025
Molecular FormulaC24H36N2O4S
Molecular Weight448.63 g/mol
Exact Mass448.24
IUPAC NameN-[4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]phenyl]cyclohexanecarboxamide
SMILESCC(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(NC(=O)C3CCCCC3)cc2)CC1
InChIInChI=1S/C24H36N2O4S/c1-18(2)31(29,30)17-20-12-14-26(15-13-20)23(27)16-19-8-10-22(11-9-19)25-24(28)21-6-4-3-5-7-21/h8-11,18,20-21H,3-7,12-17H2,1-2H3,(H,25,28)
InChIKeyQMOWBJPVHBUPJB-UHFFFAOYSA-N
XLogP3.81
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.63
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyclohexyloxyphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone
CID 58145256
2-(4-propan-2-ylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone
CID 58145380
(3S)-1-N,1-N-dimethyl-3-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]piperidine-1,3-dicarboxamide
CID 51956223
N-[4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]cyclohexanecarboxamide
CID 58145128
N-(4-acetamidophenyl)-1-[2-(4-fluorophenyl)acetyl]piperidine-4-carboxamide
CID 113007926
(3S)-1-(4-methylphenyl)sulfonyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]piperidine-3-carboxamide
CID 125047577
1-(2-phenylacetyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 55604563
1-[2-(4-methoxyphenyl)acetyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 113006818
1-[2-(4-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 26462642
N-[4-(bromomethyl)phenyl]cycloheptanecarboxamide
CID 113274667
N-(4-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
CID 1013273
N-(4-propan-2-ylsulfonylphenyl)cyclobutanecarboxamide
CID 110778740

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]phenyl]cyclohexanecarboxamide (CID 58145025) is N-[4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]phenyl]cyclohexanecarboxamide is CC(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(NC(=O)C3CCCCC3)cc2)CC1.
What is the InChIKey of N-[4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]phenyl]cyclohexanecarboxamide?
The InChIKey is QMOWBJPVHBUPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O4S/c1-18(2)31(29,30)17-20-12-14-26(15-13-20)23(27)16-19-8-10-22(11-9-19)25-24(28)21-6-4-3-5-7-21/h8-11,18,20-21H,3-7,12-17H2,1-2H3,(H,25,28).
What are the key properties of N-[4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]phenyl]cyclohexanecarboxamide?
N-[4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]phenyl]cyclohexanecarboxamide has a molecular weight of 448.63 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 58145025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).